data_2kni_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 2kni _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.5 mt -84.71 126.6 68.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.19 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.53 119.23 20.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.67 73.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -126.02 -19.38 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.58 118.32 3.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -130.73 47.03 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.33 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -145.1 19.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -141.14 71.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -74.16 -51.2 16.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 49.98 3.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.21 8.53 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 m -77.86 142.08 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.7 m -51.57 163.91 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -57.02 124.87 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.89 8.36 59.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.84 163.49 15.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.321 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -153.44 131.55 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -67.61 131.27 45.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -130.53 133.73 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.14 142.84 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -125.7 155.88 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -95.21 -24.57 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -96.82 -25.47 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -136.13 163.25 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -67.49 159.39 29.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.73 138.01 55.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.0 m -145.3 148.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.2 m -70.2 102.2 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.9 m -92.61 151.65 41.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.188 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.79 24.07 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.5 127.9 71.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.622 0.725 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -77.75 118.7 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.6 m0 61.05 73.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -124.67 -18.54 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.68 109.19 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.44 70.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.38 -12.8 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -139.79 11.44 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -149.79 70.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.74 -51.36 19.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.35 53.26 4.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -145.7 12.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 m -76.68 157.29 31.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 155.59 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -51.97 113.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.8 14.66 22.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.83 149.24 42.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.745 0.307 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -137.97 118.41 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -59.32 112.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -106.36 142.21 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -98.27 139.99 33.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -138.8 147.87 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -84.41 -26.62 28.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -87.4 -26.87 23.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -139.83 145.14 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -55.57 161.16 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.77 131.92 52.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.3 m -139.95 152.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -76.84 102.86 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.4 m -99.23 154.28 37.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.569 0.699 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.64 17.92 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.7 mt -81.48 120.57 78.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.614 2.209 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -74.25 118.57 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.2 m0 60.11 72.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -124.83 -18.82 5.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.59 108.64 3.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.78 42.53 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -60.24 -19.37 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -132.68 -40.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -92.18 76.95 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.33 -51.23 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.2 58.28 2.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.99 16.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 m -78.23 141.73 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -51.82 159.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -51.94 127.18 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.75 10.11 61.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -119.44 162.93 18.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -153.18 133.5 13.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -68.23 112.99 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -104.62 148.48 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -95.52 160.73 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -155.82 134.23 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -80.41 -44.84 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -79.31 -27.25 42.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -116.72 -169.4 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -106.42 161.04 14.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.18 129.95 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.8 m -146.05 154.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.87 103.35 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.93 152.69 46.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.96 18.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.11 129.16 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -77.2 116.02 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.3 m0 61.69 76.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -124.4 -18.88 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.29 103.6 2.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 p -121.18 64.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.25 -14.14 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -139.16 -41.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -83.79 70.34 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -74.08 -51.38 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.59 51.42 3.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -143.21 12.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 m -75.4 156.15 35.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.8 m -57.52 154.95 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -51.81 114.29 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.82 23.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.6 mt -120.51 148.8 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.34 119.6 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.47 115.15 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -106.99 138.81 42.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -85.82 156.62 20.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -151.5 155.82 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -95.29 -61.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -62.58 -23.13 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 m -128.83 -175.84 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -99.16 160.76 14.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.25 134.04 56.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.8 m -141.18 150.4 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.1 m -75.57 102.64 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.0 m -99.23 154.26 37.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.49 17.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.809 0.338 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.1 mt -87.43 120.34 71.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -170.73 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.748 2.299 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -76.39 119.5 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 62.83 68.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -125.28 -18.79 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.19 118.97 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -129.76 54.04 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.89 -22.58 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 p30 -129.54 3.33 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -144.84 77.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.2 -50.76 17.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.13 56.67 3.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.32 13.92 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -76.92 143.21 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -53.36 160.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.19 126.24 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.73 10.23 60.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -119.67 162.68 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.21 132.61 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.9 t -67.39 128.56 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -130.07 142.04 50.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -89.4 121.25 31.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -101.59 146.93 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -88.42 -32.77 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -86.37 -25.08 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.8 p -137.71 170.76 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -69.11 161.19 29.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.66 131.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 m -141.83 155.26 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.2 m -75.27 102.74 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -87.74 153.55 52.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 130.23 19.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.6 mt -82.77 120.32 76.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.654 0.74 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.238 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -76.6 119.49 20.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 63.29 67.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -125.1 -18.97 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.13 119.82 4.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -130.76 39.64 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 m -60.33 -18.71 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -130.27 -39.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -97.37 78.04 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -74.34 -51.01 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.47 58.66 3.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -147.06 16.0 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 m -78.45 142.48 37.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -52.24 161.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.7 126.7 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.18 9.43 62.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.4 mt -118.81 161.52 20.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.15 133.05 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 t -67.06 132.1 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -140.35 137.02 33.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -92.49 134.6 34.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -128.83 149.61 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -82.62 -25.66 32.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -80.17 -30.79 38.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -145.1 151.17 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -51.91 161.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.86 127.65 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 m -140.58 158.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -76.55 102.63 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.3 m -87.03 152.91 54.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.9 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -79.67 128.05 75.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 111.191 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.248 . . . . 0.0 112.309 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -78.14 118.0 19.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.2 m0 61.89 73.32 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.45 -18.51 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.93 107.07 2.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -122.79 67.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.64 -11.29 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -147.22 18.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -149.92 68.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -73.73 -51.34 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.15 48.28 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.38 9.79 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 m -75.3 156.82 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.8 m -58.74 154.83 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.39 114.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.5 14.89 22.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.7 mt -120.88 148.35 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.12 119.69 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -58.83 115.49 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -113.22 150.96 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -102.43 149.7 24.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -150.02 147.5 27.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -83.97 -25.28 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -76.87 -34.05 57.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -146.11 159.25 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -56.8 161.24 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -60.4 133.11 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.41 155.5 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.6 m -76.1 102.89 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.4 m -97.55 154.14 38.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 129.81 18.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.25 120.41 77.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.21 119.42 19.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.3 m0 60.69 70.35 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -125.05 -18.81 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.88 115.28 4.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.34 41.52 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 m -60.11 -19.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -131.76 -40.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -93.19 77.09 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.28 -51.11 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.12 58.02 2.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.45 15.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 m -77.91 141.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.62 159.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -51.66 127.68 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.12 10.09 62.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -119.61 162.63 18.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -153.21 133.88 13.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.26 111.1 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -102.96 146.39 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -98.07 168.78 10.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -173.64 147.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -92.24 -24.24 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -87.22 -27.11 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -135.26 155.22 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -66.51 161.23 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.74 136.48 55.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.45 155.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.0 m -83.49 103.19 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.95 152.43 48.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.169 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.2 mt -84.77 122.09 74.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -170.45 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -76.53 117.66 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.87 70.41 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 -20.21 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.33 116.23 4.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.63 44.24 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -61.73 -17.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -132.17 -40.59 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -93.89 76.43 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -73.62 -51.23 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.84 54.74 4.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -142.3 12.92 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -76.83 141.48 40.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.34 159.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -52.05 127.6 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.07 8.4 63.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -117.58 163.11 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.06 132.59 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.4 t -68.02 131.64 45.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -134.04 142.02 47.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -96.63 146.17 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -125.95 179.88 5.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -111.43 -36.11 5.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -83.51 -40.39 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -115.06 -172.38 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -93.2 161.25 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.6 130.28 44.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.07 154.16 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -74.36 102.7 4.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 m -88.55 153.72 50.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 134.56 28.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.1 mt -83.68 121.1 76.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.52 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -76.54 118.08 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.96 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.5 m0 63.96 69.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.17 -19.84 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.63 115.43 4.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -126.3 54.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -79.67 -20.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -131.4 4.4 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -145.75 77.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -74.43 -51.24 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.4 56.83 3.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -144.41 13.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.28 142.32 39.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -52.82 160.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.68 127.13 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.78 9.99 62.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.14 162.66 18.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.21 133.37 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.9 122.34 17.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -122.71 148.15 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -99.3 137.54 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -130.87 147.97 52.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -87.67 -25.53 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -84.95 -25.02 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -145.08 158.43 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -60.01 161.27 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.76 131.73 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 m -142.2 156.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.5 m -76.72 102.8 6.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.79 153.46 52.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.97 18.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.828 0.346 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.2 mt -85.11 127.17 65.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.25 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -77.22 115.57 17.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 m0 63.91 73.69 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -125.68 -19.99 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.05 111.24 3.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -123.22 47.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -63.25 -24.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -143.97 18.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -141.19 70.46 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.28 -51.25 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.31 50.69 3.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.98 8.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 m -77.58 142.35 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -51.43 166.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -59.9 123.45 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.22 5.07 58.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 mt -113.35 163.6 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -153.39 131.07 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 130.13 42.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -124.91 135.34 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -82.75 157.17 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -148.4 141.6 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -88.09 -39.91 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -78.66 -25.47 44.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.8 m -132.5 -171.77 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -95.62 158.9 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.08 136.71 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.95 145.79 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.1 m -68.91 102.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 m -93.5 152.2 40.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 131.96 22.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 mt -83.51 129.49 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.707 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.37 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -78.72 114.05 17.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m0 66.24 77.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 -20.37 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.71 99.71 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 p -118.66 63.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.12 -11.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -138.46 -41.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -88.61 71.0 8.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -73.02 -51.45 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.95 53.66 4.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -145.27 12.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 m -76.97 156.27 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -58.73 155.46 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -51.61 115.69 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.51 13.9 27.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.24 147.03 45.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -58.91 112.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -106.33 137.05 44.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -88.5 162.5 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.43 155.24 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 tpt85 -91.59 -57.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -61.68 -25.44 67.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -126.62 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -104.78 159.85 15.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.13 128.87 39.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -140.84 153.46 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -77.94 102.9 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.22 154.12 37.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 129.71 17.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.29 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.0 mt -84.76 126.19 69.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.29 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -76.58 119.46 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.85 72.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -126.04 -19.14 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.84 118.5 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -129.64 46.18 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.34 -23.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -145.06 20.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -142.52 71.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -74.08 -51.16 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.81 51.77 2.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -139.68 8.95 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -78.35 142.06 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -51.58 161.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -55.19 124.57 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.04 6.89 58.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.59 163.48 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -153.43 132.02 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.32 132.61 48.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -125.92 132.77 52.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -80.7 159.76 25.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -157.14 143.41 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -56.1 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -59.97 -34.07 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -124.21 -170.23 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -99.05 159.25 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.28 137.95 57.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 m -145.87 147.68 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.7 m -70.53 102.36 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.2 m -92.46 151.55 41.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 130.25 19.05 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -84.17 125.53 72.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -77.63 119.53 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.1 m0 61.68 70.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -126.09 -19.24 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.33 120.55 4.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -129.71 37.04 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -62.14 -18.8 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.27 14.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -145.55 72.86 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -74.39 -51.3 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.87 53.48 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.58 11.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 m -78.41 142.45 37.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -51.52 163.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.73 124.15 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.18 6.08 59.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.06 162.91 16.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -153.42 132.12 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.79 131.29 45.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -134.68 139.23 45.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -95.34 141.21 29.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 -138.57 150.31 46.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -84.44 -24.04 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -78.41 -31.07 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 t -148.25 156.71 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -55.49 161.13 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.26 133.66 55.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.56 151.6 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -70.32 102.26 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -91.2 150.63 41.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.56 19.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -85.42 126.64 66.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -170.3 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -76.33 119.02 19.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.1 m0 59.67 73.58 0.48 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -126.14 -19.25 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.2 116.73 3.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -128.16 44.7 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 m -62.97 -20.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -147.97 19.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -142.61 71.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -74.25 -51.17 16.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.65 49.53 3.14 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -138.21 7.92 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 m -77.05 142.03 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.2 m -51.3 161.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.23 122.88 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.89 7.65 56.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -115.05 164.87 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -153.55 128.16 9.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.02 131.91 47.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -126.37 134.54 51.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -77.87 168.39 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -164.01 139.83 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -84.48 -63.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -60.05 -35.8 75.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -114.01 -170.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -104.68 157.74 16.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.04 135.66 57.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.0 m -145.73 151.27 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.6 m -73.93 102.21 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.4 m -93.24 151.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 131.77 21.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.1 mt -84.75 125.76 70.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.35 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -77.09 119.49 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.86 71.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -126.05 -19.18 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.13 120.28 4.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.48 43.28 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.2 -18.45 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -147.06 17.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -142.73 72.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -74.11 -51.21 16.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.53 51.97 3.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -140.44 9.63 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.3 142.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -51.57 163.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -56.43 124.23 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.22 4.92 59.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.52 162.9 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -153.47 132.59 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.35 134.23 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -136.31 136.17 39.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.73 150.96 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -155.2 151.13 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -79.92 -24.28 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -69.81 -43.98 70.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.9 p -142.27 161.7 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -57.63 161.0 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.93 135.72 56.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.8 m -145.06 149.99 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -70.8 102.24 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.8 m -91.51 150.91 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.178 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.75 21.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.919 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.6 mt -85.71 126.86 64.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -170.16 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -77.92 116.8 18.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.0 m0 63.99 72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.92 -19.84 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.7 114.52 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.498 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.87 40.45 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -49.67 -30.54 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -132.54 -35.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -79.36 72.4 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -72.46 -51.22 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.67 57.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.64 10.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -78.52 142.73 37.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.39 163.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.27 125.66 22.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.88 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.24 163.58 13.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.63 124.91 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 130.19 45.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -130.1 138.79 50.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -91.22 148.38 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -142.19 145.24 33.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -86.52 -25.92 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -81.97 -25.84 34.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -150.9 159.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -56.54 161.13 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -61.45 141.97 57.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -146.16 150.55 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -71.8 102.42 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 m -92.54 150.16 39.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.682 0.753 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.58 19.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -80.05 127.61 76.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -170.96 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -77.47 119.0 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.5 m0 60.44 73.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -124.8 -18.73 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.11 110.34 3.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -127.39 70.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.32 -13.48 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -139.19 11.24 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -149.3 70.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -72.93 -51.34 18.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.51 53.22 4.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.52 12.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.26 157.82 32.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -59.51 155.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.93 114.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.17 15.06 22.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.91 149.3 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -138.06 118.84 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.08 114.72 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -109.1 148.26 31.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.48 139.99 36.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -133.28 152.22 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -89.93 -27.32 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -86.82 -25.76 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -141.23 161.25 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -65.61 160.91 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.65 132.78 54.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.17 156.15 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.9 m -77.87 102.86 7.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.4 m -98.53 154.2 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.58 17.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.379 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.1 mt -86.82 119.91 71.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.69 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.13 119.45 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 62.62 68.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -125.28 -18.76 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.87 119.74 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -132.86 56.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 m -80.04 -20.51 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -132.64 5.55 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -145.51 76.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -74.02 -50.88 17.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.81 54.68 4.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -142.33 12.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -76.82 142.61 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.1 m -52.89 160.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.54 127.12 21.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.32 61.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -118.88 162.29 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -153.14 131.11 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.76 132.17 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -135.84 140.27 44.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 143.07 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -156.75 156.28 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -73.17 -24.85 60.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -58.53 -43.96 89.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -155.59 162.19 40.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -51.95 161.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.99 130.04 44.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.3 m -142.8 151.11 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.9 m -72.78 102.73 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.17 153.32 51.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.24 18.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.936 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.0 mt -86.61 128.27 57.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -169.63 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -76.75 114.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.04 75.22 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -125.5 -20.29 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 109.43 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -120.57 42.98 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.1 m -59.08 -26.83 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -143.19 20.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -142.22 69.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -72.33 -51.26 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.66 48.62 3.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.99 5.63 3.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 m -74.47 141.21 44.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -52.96 165.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.97 123.09 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.23 7.34 57.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -115.1 166.12 12.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -153.13 132.55 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -68.76 116.82 9.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -104.9 148.15 26.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -97.65 147.95 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.39 149.27 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -89.44 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -67.74 -23.42 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -114.62 -170.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -108.34 161.43 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.09 134.67 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 m -146.94 150.94 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.7 m -79.28 102.53 8.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -93.51 152.19 40.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 132.99 24.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.916 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.92 129.45 64.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.294 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.56 116.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.8 m0 63.71 74.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -124.81 -19.36 5.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.11 106.05 2.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.99 68.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -82.23 -12.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -141.97 12.78 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -149.74 69.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -72.64 -51.46 19.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.25 52.93 4.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -145.11 11.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.78 158.23 31.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.0 m -59.9 155.88 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -52.04 114.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.72 14.4 23.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.72 148.12 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.24 119.74 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.4 113.52 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -107.9 148.38 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -100.23 145.73 27.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -143.1 146.35 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -84.26 -26.99 28.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -87.65 -28.19 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -137.27 152.65 50.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -62.48 160.67 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.91 130.89 47.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.91 153.92 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.22 102.93 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 m -99.18 154.14 37.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 129.66 17.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.898 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.8 mt -85.75 126.45 66.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -170.24 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -76.82 115.49 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.0 m0 63.8 73.64 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -125.64 -19.89 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.13 112.97 3.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.44 46.52 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.93 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -143.67 18.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -141.29 70.75 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.7 -51.14 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.61 50.71 3.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.15 9.31 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 m -77.22 143.34 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -51.72 164.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -58.87 121.44 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 8.21 54.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.0 mt -116.53 164.36 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -153.37 132.77 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -68.22 130.26 42.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -128.31 136.16 50.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -88.63 154.55 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -135.08 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -107.38 -24.69 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -101.28 -24.18 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -131.22 171.69 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -79.33 158.48 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.93 136.98 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -144.84 148.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.9 m -69.88 102.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -94.04 152.04 40.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.78 40.92 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.877 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.828 0.347 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.8 mt -84.94 126.16 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.36 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.335 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -76.76 119.25 20.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.4 m0 60.39 72.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 -19.22 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.56 117.4 3.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.46 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.31 45.37 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -62.69 -23.65 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -144.33 19.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -142.58 71.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.16 -51.25 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.26 51.21 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.71 9.32 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.2 142.44 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.9 m -51.51 167.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.56 127.03 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 6.55 64.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -113.51 161.88 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -153.28 132.25 12.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.56 131.53 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -130.34 136.11 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -91.05 135.74 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -115.13 165.93 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -103.47 -24.97 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -104.77 -8.46 18.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -146.95 159.5 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -67.46 158.46 31.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -57.09 137.58 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.5 m -145.39 148.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.9 m -70.86 102.23 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.2 m -92.17 151.22 41.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.966 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.771 0.32 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 mt -81.32 119.22 75.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HG2' ' HB2' ' A' ' 9' ' ' LYS . 53.8 Cg_endo -69.76 -170.78 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.75 2.3 . . . . 0.0 112.366 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -76.18 120.26 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 62.58 67.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.401 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -125.48 -18.69 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.97 124.52 5.42 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -133.84 39.7 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.56 -20.4 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -130.19 -39.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -95.2 78.22 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.43 -51.06 15.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.35 59.07 2.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.8 16.33 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -78.4 143.23 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -53.32 160.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.04 126.48 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.27 10.38 60.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -120.52 161.17 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -153.24 133.91 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.16 129.74 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -123.47 144.57 49.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -102.37 109.07 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -104.33 145.01 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -35.34 26.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -83.56 -25.92 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -133.47 143.83 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -54.02 161.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -56.88 131.41 49.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 m -144.39 156.34 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.57 102.75 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -88.76 153.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.873 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.8 mt -83.82 126.84 69.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -77.23 116.03 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.9 m0 63.91 73.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.65 -19.78 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.02 111.61 3.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 p -121.92 46.46 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.911 0.386 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -62.98 -22.52 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -146.2 20.02 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -142.36 71.63 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -74.35 -51.16 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.19 51.7 3.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -140.49 9.26 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 m -78.25 141.94 38.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -51.45 161.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.86 125.37 19.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.66 3.07 61.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.9 mt -111.81 162.98 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -153.33 131.39 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t -65.99 132.27 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -128.8 132.75 47.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.03 157.18 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -152.86 148.54 27.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -91.01 -35.96 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -73.95 -28.41 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 m -138.12 -174.05 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -89.52 157.29 18.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.99 137.55 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.5 149.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.6 m -71.92 102.42 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -92.82 151.82 41.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 130.32 19.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -111.24 157.27 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.68 85.54 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.3 p -175.06 157.93 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.5 mt -84.71 126.6 68.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.19 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.53 119.23 20.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.67 73.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -126.02 -19.38 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.58 118.32 3.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -130.73 47.03 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.33 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -145.1 19.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -141.14 71.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -74.16 -51.2 16.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 49.98 3.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.21 8.53 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 m -77.86 142.08 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.7 m -51.57 163.91 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -57.02 124.87 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.89 8.36 59.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.84 163.49 15.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.321 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -153.44 131.55 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -67.61 131.27 45.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -130.53 133.73 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.14 142.84 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -125.7 155.88 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -95.21 -24.57 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -96.82 -25.47 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -136.13 163.25 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -67.49 159.39 29.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.73 138.01 55.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.0 m -145.3 148.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.2 m -70.2 102.2 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.9 m -92.61 151.65 41.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.188 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.79 24.07 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.14 137.17 56.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.17 159.68 56.25 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 170.42 16.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -108.4 111.51 23.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -88.58 164.76 15.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -120.56 95.79 4.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -174.99 161.19 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.5 127.9 71.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.622 0.725 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -77.75 118.7 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.6 m0 61.05 73.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -124.67 -18.54 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.68 109.19 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.44 70.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.38 -12.8 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -139.79 11.44 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -149.79 70.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.74 -51.36 19.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.35 53.26 4.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -145.7 12.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 m -76.68 157.29 31.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 155.59 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -51.97 113.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.8 14.66 22.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.83 149.24 42.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.745 0.307 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -137.97 118.41 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -59.32 112.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -106.36 142.21 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -98.27 139.99 33.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -138.8 147.87 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -84.41 -26.62 28.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -87.4 -26.87 23.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -139.83 145.14 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -55.57 161.16 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.77 131.92 52.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.3 m -139.95 152.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -76.84 102.86 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.4 m -99.23 154.28 37.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.569 0.699 . . . . 0.0 111.113 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.64 17.92 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -52.2 144.21 12.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.61 159.65 82.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.19 5.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -95.44 110.75 22.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -141.23 119.17 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -109.9 -11.82 14.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p -174.62 153.71 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.7 mt -81.48 120.57 78.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.614 2.209 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -74.25 118.57 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.2 m0 60.11 72.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 tptt -124.83 -18.82 5.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.59 108.64 3.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.78 42.53 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -60.24 -19.37 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -132.68 -40.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.4 mtt-85 -92.18 76.95 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.33 -51.23 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.2 58.28 2.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.99 16.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 m -78.23 141.73 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -51.82 159.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -51.94 127.18 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.75 10.11 61.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -119.44 162.93 18.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -153.18 133.5 13.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -68.23 112.99 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -104.62 148.48 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -95.52 160.73 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -155.82 134.23 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -80.41 -44.84 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -79.31 -27.25 42.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -116.72 -169.4 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -106.42 161.04 14.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.18 129.95 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.8 m -146.05 154.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.87 103.35 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.93 152.69 46.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.96 18.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -63.15 143.23 57.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.04 159.64 40.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 129.11 17.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -66.85 131.3 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.783 0.325 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -95.24 77.01 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -100.72 85.68 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.2 p -173.76 161.41 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.11 129.16 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -77.2 116.02 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 6.3 m0 61.69 76.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -124.4 -18.88 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.29 103.6 2.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 p -121.18 64.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.25 -14.14 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -139.16 -41.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -83.79 70.34 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -74.08 -51.38 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.59 51.42 3.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -143.21 12.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 m -75.4 156.15 35.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.8 m -57.52 154.95 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -51.81 114.29 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.82 23.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.6 mt -120.51 148.8 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.88 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.34 119.6 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.47 115.15 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -106.99 138.81 42.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -85.82 156.62 20.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -151.5 155.82 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -95.29 -61.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -62.58 -23.13 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 m -128.83 -175.84 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -99.16 160.76 14.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.25 134.04 56.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.8 m -141.18 150.4 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.1 m -75.57 102.64 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.0 m -99.23 154.26 37.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.101 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.49 17.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -52.06 145.86 9.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.24 159.59 72.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 95.41 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -111.78 113.59 26.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -116.86 34.91 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -81.05 81.88 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.2 p -174.55 159.87 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.1 mt -87.43 120.34 71.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.101 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -170.73 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.748 2.299 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -76.39 119.5 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 62.83 68.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.1 tptt -125.28 -18.79 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.19 118.97 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -129.76 54.04 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.89 -22.58 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 p30 -129.54 3.33 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.6 mtt-85 -144.84 77.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.2 -50.76 17.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.13 56.67 3.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.32 13.92 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -76.92 143.21 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -53.36 160.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.19 126.24 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.73 10.23 60.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -119.67 162.68 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.21 132.61 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.9 t -67.39 128.56 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -130.07 142.04 50.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -89.4 121.25 31.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -101.59 146.93 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -88.42 -32.77 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -86.37 -25.08 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.8 p -137.71 170.76 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -69.11 161.19 29.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.66 131.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.2 m -141.83 155.26 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.2 m -75.27 102.74 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -87.74 153.55 52.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 130.23 19.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -63.03 142.19 58.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.1 159.57 63.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.629 2.219 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -94.72 109.09 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.74 101.3 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -106.75 65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.4 p -174.49 154.15 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.6 mt -82.77 120.32 76.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.654 0.74 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.238 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -76.6 119.49 20.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 63.29 67.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -125.1 -18.97 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.13 119.82 4.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -130.76 39.64 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 m -60.33 -18.71 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -130.27 -39.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 mtt-85 -97.37 78.04 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -74.34 -51.01 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.47 58.66 3.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -147.06 16.0 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 m -78.45 142.48 37.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -52.24 161.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.7 126.7 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.18 9.43 62.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.4 mt -118.81 161.52 20.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.15 133.05 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 t -67.06 132.1 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -140.35 137.02 33.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -92.49 134.6 34.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -128.83 149.61 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -82.62 -25.66 32.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -80.17 -30.79 38.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -145.1 151.17 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -51.91 161.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.86 127.65 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.1 m -140.58 158.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.109 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -76.55 102.63 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.3 m -87.03 152.91 54.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.9 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -62.15 140.75 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.42 159.65 30.67 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.58 0.705 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 82.76 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -116.25 109.56 17.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -148.91 135.85 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -111.0 41.99 1.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -174.81 161.19 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -79.67 128.05 75.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 111.191 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.248 . . . . 0.0 112.309 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -78.14 118.0 19.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.2 m0 61.89 73.32 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.45 -18.51 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.93 107.07 2.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -122.79 67.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.64 -11.29 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -147.22 18.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -149.92 68.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -73.73 -51.34 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.15 48.28 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.38 9.79 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 m -75.3 156.82 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.8 m -58.74 154.83 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.39 114.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.5 14.89 22.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.7 mt -120.88 148.35 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.12 119.69 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -58.83 115.49 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -113.22 150.96 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -102.43 149.7 24.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -150.02 147.5 27.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -83.97 -25.28 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -76.87 -34.05 57.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -146.11 159.25 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -56.8 161.24 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -60.4 133.11 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.4 m -137.41 155.5 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.6 m -76.1 102.89 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.4 m -97.55 154.14 38.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 129.81 18.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -52.33 145.23 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.57 159.68 37.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 83.83 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -101.24 112.08 24.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.856 0.36 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -130.32 104.03 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.36 80.95 9.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 p -174.49 154.06 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.5 mt -82.25 120.41 77.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.21 119.42 19.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.3 m0 60.69 70.35 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.5 tptp -125.05 -18.81 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.88 115.28 4.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.34 41.52 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 m -60.11 -19.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -131.76 -40.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -93.19 77.09 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.28 -51.11 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.12 58.02 2.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.45 15.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 m -77.91 141.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.62 159.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -51.66 127.68 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.12 10.09 62.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -119.61 162.63 18.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -153.21 133.88 13.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.26 111.1 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -102.96 146.39 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -98.07 168.78 10.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -173.64 147.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -92.24 -24.24 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -87.22 -27.11 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -135.26 155.22 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -66.51 161.23 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.74 136.48 55.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.45 155.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.0 m -83.49 103.19 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.95 152.43 48.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.169 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -62.28 145.99 52.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.11 159.64 58.39 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.724 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 172.91 11.8 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.715 2.276 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -87.6 120.59 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.832 0.348 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -108.97 108.73 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -120.7 -1.27 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p -174.48 154.8 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.2 mt -84.77 122.09 74.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -170.45 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -76.53 117.66 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.87 70.41 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.36 -20.21 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.33 116.23 4.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.63 44.24 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -61.73 -17.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -132.17 -40.59 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -93.89 76.43 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -73.62 -51.23 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.84 54.74 4.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -142.3 12.92 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -76.83 141.48 40.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.34 159.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -52.05 127.6 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.07 8.4 63.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -117.58 163.11 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.06 132.59 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.4 t -68.02 131.64 45.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -134.04 142.02 47.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -96.63 146.17 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -125.95 179.88 5.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -111.43 -36.11 5.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -83.51 -40.39 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -115.06 -172.38 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -93.2 161.25 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.6 130.28 44.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.07 154.16 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -74.36 102.7 4.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 m -88.55 153.72 50.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 134.56 28.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -67.21 141.13 57.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.61 159.63 45.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 0.0 111.132 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 108.31 2.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.739 2.293 . . . . 0.0 112.37 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -75.58 132.43 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.63 176.41 5.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -93.82 -8.68 39.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 p -174.56 153.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 21.1 mt -83.68 121.1 76.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.52 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -76.54 118.08 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.96 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.5 m0 63.96 69.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.17 -19.84 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.63 115.43 4.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -126.3 54.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -79.67 -20.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -131.4 4.4 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -145.75 77.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -74.43 -51.24 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.4 56.83 3.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -144.41 13.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.28 142.32 39.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -52.82 160.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.68 127.13 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.78 9.99 62.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.14 162.66 18.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.21 133.37 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.9 122.34 17.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -122.71 148.15 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -99.3 137.54 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -130.87 147.97 52.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -87.67 -25.53 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -84.95 -25.02 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -145.08 158.43 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -60.01 161.27 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.76 131.73 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.4 m -142.2 156.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.5 m -76.72 102.8 6.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.79 153.46 52.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.97 18.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -62.45 141.89 58.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.65 159.61 43.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 137.02 34.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -84.04 138.15 33.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.0 114.12 10.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -100.11 -44.92 5.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p -175.13 158.66 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.2 mt -85.11 127.17 65.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.25 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -77.22 115.57 17.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 m0 63.91 73.69 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -125.68 -19.99 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.05 111.24 3.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -123.22 47.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -63.25 -24.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -143.97 18.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -141.19 70.46 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.28 -51.25 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.31 50.69 3.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.98 8.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 m -77.58 142.35 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -51.43 166.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -59.9 123.45 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.22 5.07 58.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 mt -113.35 163.6 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -153.39 131.07 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 130.13 42.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -124.91 135.34 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -82.75 157.17 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -148.4 141.6 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -88.09 -39.91 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -78.66 -25.47 44.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.8 m -132.5 -171.77 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -95.62 158.9 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.08 136.71 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.95 145.79 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.1 m -68.91 102.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.8 m -93.5 152.2 40.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 131.96 22.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.51 139.17 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.98 159.6 71.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.524 0.678 . . . . 0.0 111.186 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -174.9 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -116.63 118.48 32.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.44 72.09 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -126.01 84.18 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p -172.95 161.63 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.5 mt -83.51 129.49 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.707 . . . . 0.0 111.128 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.37 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -78.72 114.05 17.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m0 66.24 77.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 -20.37 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.71 99.71 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 p -118.66 63.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.12 -11.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -138.46 -41.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -88.61 71.0 8.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -73.02 -51.45 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.95 53.66 4.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -145.27 12.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 m -76.97 156.27 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -58.73 155.46 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -51.61 115.69 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.51 13.9 27.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.6 mt -120.24 147.03 45.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -58.91 112.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -106.33 137.05 44.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -88.5 162.5 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.43 155.24 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 tpt85 -91.59 -57.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -61.68 -25.44 67.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -126.62 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -104.78 159.85 15.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.13 128.87 39.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -140.84 153.46 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -77.94 102.9 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.22 154.12 37.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 129.71 17.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.29 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -53.03 145.2 13.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.31 159.63 11.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.36 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -117.03 123.19 46.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -138.44 126.93 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -121.04 21.52 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -174.9 156.84 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.0 mt -84.76 126.19 69.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.29 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -76.58 119.46 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.85 72.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -126.04 -19.14 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.84 118.5 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -129.64 46.18 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.34 -23.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -145.06 20.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -142.52 71.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -74.08 -51.16 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.81 51.77 2.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -139.68 8.95 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -78.35 142.06 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -51.58 161.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -55.19 124.57 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.04 6.89 58.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.59 163.48 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -153.43 132.02 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.32 132.61 48.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -125.92 132.77 52.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -80.7 159.76 25.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -157.14 143.41 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -56.1 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -59.97 -34.07 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -124.21 -170.23 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -99.05 159.25 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.28 137.95 57.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.8 m -145.87 147.68 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.7 m -70.53 102.36 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.2 m -92.46 151.55 41.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 130.25 19.05 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.3 143.19 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.67 159.6 54.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 142.0 46.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.389 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -105.61 111.51 24.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.842 0.353 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -115.76 40.39 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -85.24 -44.49 12.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p -174.92 156.75 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -84.17 125.53 72.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 111.143 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -77.63 119.53 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.1 m0 61.68 70.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -126.09 -19.24 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.33 120.55 4.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -129.71 37.04 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -62.14 -18.8 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.27 14.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 mtt85 -145.55 72.86 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -74.39 -51.3 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.87 53.48 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.58 11.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 m -78.41 142.45 37.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -51.52 163.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.73 124.15 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.18 6.08 59.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.06 162.91 16.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -153.42 132.12 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.79 131.29 45.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -134.68 139.23 45.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -95.34 141.21 29.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 -138.57 150.31 46.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -84.44 -24.04 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -78.41 -31.07 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 t -148.25 156.71 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -55.49 161.13 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.26 133.66 55.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.4 m -143.56 151.6 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -70.32 102.26 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -91.2 150.63 41.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.56 19.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -63.85 135.82 56.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.15 159.68 28.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 110.0 2.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -95.73 110.0 22.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -146.18 137.24 24.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.38 -40.43 36.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 p -175.18 159.52 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.4 mt -85.42 126.64 66.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -170.3 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -76.33 119.02 19.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.1 m0 59.67 73.58 0.48 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.1 tptt -126.14 -19.25 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.2 116.73 3.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -128.16 44.7 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 m -62.97 -20.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -147.97 19.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -142.61 71.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -74.25 -51.17 16.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.65 49.53 3.14 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -138.21 7.92 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 m -77.05 142.03 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.2 m -51.3 161.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.23 122.88 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.89 7.65 56.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -115.05 164.87 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -153.55 128.16 9.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.02 131.91 47.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -126.37 134.54 51.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -77.87 168.39 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -164.01 139.83 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -84.48 -63.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -60.05 -35.8 75.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -114.01 -170.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -104.68 157.74 16.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.04 135.66 57.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.0 m -145.73 151.27 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.6 m -73.93 102.21 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 30.4 m -93.24 151.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 0.0 111.148 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 131.77 21.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.7 138.61 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.53 159.58 29.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.561 0.696 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 123.35 10.02 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -112.74 117.13 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -88.03 67.53 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -118.35 -52.27 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.5 p -174.92 157.47 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 19.1 mt -84.75 125.76 70.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.35 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -77.09 119.49 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.86 71.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 tptp -126.05 -19.18 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.13 120.28 4.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.48 43.28 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.2 -18.45 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -147.06 17.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -142.73 72.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -74.11 -51.21 16.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.53 51.97 3.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -140.44 9.63 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.3 142.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -51.57 163.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -56.43 124.23 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.22 4.92 59.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.52 162.9 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -153.47 132.59 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.35 134.23 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -136.31 136.17 39.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.73 150.96 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -155.2 151.13 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -79.92 -24.28 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -69.81 -43.98 70.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.9 p -142.27 161.7 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -57.63 161.0 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.93 135.72 56.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.8 m -145.06 149.99 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -70.8 102.24 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 34.8 m -91.51 150.91 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.178 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.75 21.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -65.05 135.63 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.45 159.67 43.72 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.535 0.683 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.75 2.89 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 109.21 20.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -103.0 42.07 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.33 -27.14 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.3 p -175.1 159.34 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 17.6 mt -85.71 126.86 64.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -170.16 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -77.92 116.8 18.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.0 m0 63.99 72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -125.92 -19.84 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.7 114.52 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.498 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.87 40.45 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -49.67 -30.54 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -132.54 -35.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -79.36 72.4 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -72.46 -51.22 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.67 57.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.64 10.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -78.52 142.73 37.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.39 163.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.27 125.66 22.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.88 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.24 163.58 13.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -153.63 124.91 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 130.19 45.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -130.1 138.79 50.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -91.22 148.38 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -142.19 145.24 33.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -86.52 -25.92 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -81.97 -25.84 34.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -150.9 159.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -56.54 161.13 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -61.45 141.97 57.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.4 m -146.16 150.55 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -71.8 102.42 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.0 m -92.54 150.16 39.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.682 0.753 . . . . 0.0 111.084 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.58 19.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.26 142.69 58.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.29 159.6 29.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.551 0.691 . . . . 0.0 111.179 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 172.27 13.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -92.16 109.09 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -136.81 101.21 4.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -109.36 92.94 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -172.54 161.11 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -80.05 127.61 76.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -170.96 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -77.47 119.0 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.5 m0 60.44 73.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -124.8 -18.73 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.11 110.34 3.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -127.39 70.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.32 -13.48 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -139.19 11.24 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -149.3 70.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -72.93 -51.34 18.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.51 53.22 4.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.52 12.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.26 157.82 32.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -59.51 155.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.93 114.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.17 15.06 22.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.91 149.3 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -138.06 118.84 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.08 114.72 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -109.1 148.26 31.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.48 139.99 36.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -133.28 152.22 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -89.93 -27.32 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -86.82 -25.76 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -141.23 161.25 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -65.61 160.91 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.65 132.78 54.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.6 m -138.17 156.15 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.9 m -77.87 102.86 7.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.4 m -98.53 154.2 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.58 17.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.379 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -52.06 145.22 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.96 159.65 31.03 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.541 0.686 . . . . 0.0 111.164 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 88.52 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -93.59 109.35 20.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -138.3 128.82 26.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -132.99 94.43 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.75 159.89 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.1 mt -86.82 119.91 71.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.69 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.13 119.45 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 62.62 68.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 tptp -125.28 -18.76 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.87 119.74 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -132.86 56.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 m -80.04 -20.51 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -132.64 5.55 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -145.51 76.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -74.02 -50.88 17.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.81 54.68 4.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -142.33 12.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -76.82 142.61 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.1 m -52.89 160.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.54 127.12 21.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.32 61.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -118.88 162.29 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -153.14 131.11 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.76 132.17 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -135.84 140.27 44.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 143.07 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -156.75 156.28 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -73.17 -24.85 60.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -58.53 -43.96 89.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -155.59 162.19 40.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -51.95 161.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.99 130.04 44.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 22.3 m -142.8 151.11 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.9 m -72.78 102.73 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.17 153.32 51.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.24 18.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -62.94 143.61 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.37 159.62 31.53 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.37 4.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -81.74 115.64 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -86.14 146.16 26.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -114.15 33.8 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -175.21 161.18 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.0 mt -86.61 128.27 57.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -169.63 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -76.75 114.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.04 75.22 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -125.5 -20.29 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 109.43 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -120.57 42.98 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.1 m -59.08 -26.83 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -143.19 20.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -142.22 69.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -72.33 -51.26 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.66 48.62 3.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.99 5.63 3.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 m -74.47 141.21 44.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -52.96 165.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.97 123.09 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.23 7.34 57.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -115.1 166.12 12.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -153.13 132.55 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -68.76 116.82 9.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -104.9 148.15 26.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -97.65 147.95 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.39 149.27 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -89.44 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -67.74 -23.42 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -114.62 -170.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -108.34 161.43 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.09 134.67 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 m -146.94 150.94 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.7 m -79.28 102.53 8.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -93.51 152.19 40.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 132.99 24.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -66.45 138.48 57.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.81 159.6 31.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.609 0.718 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 164.27 35.1 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.39 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -113.1 111.65 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -148.01 135.34 20.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -127.5 103.77 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.36 161.62 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.92 129.45 64.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.294 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.56 116.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 7.8 m0 63.71 74.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -124.81 -19.36 5.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.11 106.05 2.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.99 68.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -82.23 -12.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -141.97 12.78 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -149.74 69.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -72.64 -51.46 19.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.25 52.93 4.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -145.11 11.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.78 158.23 31.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.0 m -59.9 155.88 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -52.04 114.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.72 14.4 23.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.72 148.12 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.24 119.74 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.4 113.52 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -107.9 148.38 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -100.23 145.73 27.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -143.1 146.35 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -84.26 -26.99 28.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -87.65 -28.19 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -137.27 152.65 50.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -62.48 160.67 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.91 130.89 47.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.3 m -138.91 153.92 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.22 102.93 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.2 m -99.18 154.14 37.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 111.119 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 129.66 17.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -52.49 145.2 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.32 159.64 67.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 105.52 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 118.42 36.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.951 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -87.84 169.11 12.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -100.13 -19.61 16.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.9 p -175.2 160.34 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.8 mt -85.75 126.45 66.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 111.132 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -170.24 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -76.82 115.49 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.0 m0 63.8 73.64 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -125.64 -19.89 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.939 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.13 112.97 3.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.44 46.52 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.93 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -143.67 18.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -141.29 70.75 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.7 -51.14 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.61 50.71 3.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.15 9.31 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 m -77.22 143.34 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -51.72 164.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -58.87 121.44 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 8.21 54.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.0 mt -116.53 164.36 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -153.37 132.77 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -68.22 130.26 42.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -128.31 136.16 50.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -88.63 154.55 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -135.08 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -107.38 -24.69 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -101.28 -24.18 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -131.22 171.69 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -79.33 158.48 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.93 136.98 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -144.84 148.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.9 m -69.88 102.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -94.04 152.04 40.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.78 40.92 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -71.31 142.19 50.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.73 159.62 84.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 114.86 3.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.304 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.43 111.15 22.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -104.64 110.85 23.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.65 -18.94 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p -175.03 157.63 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.8 mt -84.94 126.16 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.36 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.335 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -76.76 119.25 20.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.4 m0 60.39 72.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.97 -19.22 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.56 117.4 3.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.46 179.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.31 45.37 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -62.69 -23.65 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -144.33 19.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -142.58 71.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.16 -51.25 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.26 51.21 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.71 9.32 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.2 142.44 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.9 m -51.51 167.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.56 127.03 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 6.55 64.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -113.51 161.88 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -153.28 132.25 12.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.56 131.53 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -130.34 136.11 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -91.05 135.74 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -115.13 165.93 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -103.47 -24.97 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -104.77 -8.46 18.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -146.95 159.5 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -67.46 158.46 31.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -57.09 137.58 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.5 m -145.39 148.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.9 m -70.86 102.23 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.2 m -92.17 151.22 41.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -64.91 135.64 55.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.53 159.6 29.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.546 0.689 . . . . 0.0 111.163 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.2 59.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.364 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -116.97 117.99 31.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.978 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -108.84 114.1 27.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.22 88.88 2.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.61 153.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.7 mt -81.32 119.22 75.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.401 ' HG2' ' HB2' ' A' ' 9' ' ' LYS . 53.8 Cg_endo -69.76 -170.78 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.75 2.3 . . . . 0.0 112.366 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -76.18 120.26 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 62.58 67.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -125.48 -18.69 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.97 124.52 5.42 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -133.84 39.7 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.56 -20.4 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -130.19 -39.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mtt85 -95.2 78.22 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.43 -51.06 15.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.35 59.07 2.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.8 16.33 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -78.4 143.23 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -53.32 160.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.04 126.48 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.27 10.38 60.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -120.52 161.17 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -153.24 133.91 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.16 129.74 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -123.47 144.57 49.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -102.37 109.07 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -104.33 145.01 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -35.34 26.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -83.56 -25.92 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -133.47 143.83 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -54.02 161.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -56.88 131.41 49.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 14.5 m -144.39 156.34 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.57 102.75 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -88.76 153.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -63.06 140.08 58.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.36 159.64 52.89 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.533 0.682 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.22 56.52 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.302 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -86.78 126.65 34.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.973 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -137.32 108.22 6.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -140.74 110.6 6.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 p -175.1 156.62 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.8 mt -83.82 126.84 69.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -77.23 116.03 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.9 m0 63.91 73.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.65 -19.78 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.02 111.61 3.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 p -121.92 46.46 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.911 0.386 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -62.98 -22.52 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -146.2 20.02 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -142.36 71.63 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -74.35 -51.16 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.19 51.7 3.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -140.49 9.26 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 m -78.25 141.94 38.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -51.45 161.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.86 125.37 19.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.66 3.07 61.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.9 mt -111.81 162.98 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -153.33 131.39 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t -65.99 132.27 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -128.8 132.75 47.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.03 157.18 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -152.86 148.54 27.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -91.01 -35.96 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -73.95 -28.41 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 m -138.12 -174.05 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -89.52 157.29 18.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.99 137.55 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -145.5 149.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.958 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.6 m -71.92 102.42 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.0 m -92.82 151.82 41.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 130.32 19.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -63.96 137.26 57.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.38 159.65 61.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 142.62 48.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.704 2.27 . . . . 0.0 112.321 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.01 115.34 25.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.136 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 9' ' ' LYS . 17.5 mt -84.71 126.6 68.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.19 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.53 119.23 20.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.67 73.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.5 tptp -126.02 -19.38 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.588 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.58 118.32 3.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -130.73 47.03 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.33 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -145.1 19.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -141.14 71.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -74.16 -51.2 16.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 49.98 3.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.21 8.53 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 m -77.86 142.08 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.7 m -51.57 163.91 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -57.02 124.87 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.89 8.36 59.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.84 163.49 15.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.321 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.9 pt-20 -153.44 131.55 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -67.61 131.27 45.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -130.53 133.73 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.14 142.84 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -125.7 155.88 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -95.21 -24.57 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -96.82 -25.47 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -136.13 163.25 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -67.49 159.39 29.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.73 138.01 55.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.588 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.0 m -145.3 148.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.2 m -70.2 102.2 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 23' ' ' GLU . 33.9 m -92.61 151.65 41.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.188 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.79 24.07 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.5 127.9 71.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.622 0.725 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -77.75 118.7 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.436 ' HE1' HG12 ' A' ' 35' ' ' VAL . 8.6 m0 61.05 73.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -124.67 -18.54 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.537 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 98.68 109.19 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.44 70.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.38 -12.8 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -139.79 11.44 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -149.79 70.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.74 -51.36 19.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.35 53.26 4.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -145.7 12.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 m -76.68 157.29 31.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 155.59 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -51.97 113.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.8 14.66 22.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.83 149.24 42.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.745 0.307 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -137.97 118.41 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -59.32 112.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -106.36 142.21 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -98.27 139.99 33.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -138.8 147.87 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -84.41 -26.62 28.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -87.4 -26.87 23.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -139.83 145.14 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -55.57 161.16 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.77 131.92 52.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.537 HG12 ' HA2' ' A' ' 10' ' ' GLY . 34.3 m -139.95 152.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -76.84 102.86 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.436 HG12 ' HE1' ' A' ' 8' ' ' TRP . 16.4 m -99.23 154.28 37.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.569 0.699 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.64 17.92 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.582 HD11 ' CB ' ' A' ' 14' ' ' ARG . 14.7 mt -81.48 120.57 78.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.614 2.209 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -74.25 118.57 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.2 m0 60.11 72.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.4 tptt -124.83 -18.82 5.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 105.59 108.64 3.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.78 42.53 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -60.24 -19.37 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -132.68 -40.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.582 ' CB ' HD11 ' A' ' 5' ' ' ILE . 8.4 mtt-85 -92.18 76.95 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.33 -51.23 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.2 58.28 2.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.99 16.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 m -78.23 141.73 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -51.82 159.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -51.94 127.18 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.75 10.11 61.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -119.44 162.93 18.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -153.18 133.5 13.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -68.23 112.99 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -104.62 148.48 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -95.52 160.73 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -155.82 134.23 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -80.41 -44.84 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -79.31 -27.25 42.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -116.72 -169.4 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -106.42 161.04 14.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.18 129.95 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.8 m -146.05 154.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.87 103.35 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.93 152.69 46.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.96 18.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.402 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.4 mt -81.11 129.16 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -77.2 116.02 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.521 ' CD1' HG12 ' A' ' 35' ' ' VAL . 6.3 m0 61.69 76.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -124.4 -18.88 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.516 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 101.29 103.6 2.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 p -121.18 64.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.25 -14.14 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -139.16 -41.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -83.79 70.34 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -74.08 -51.38 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.59 51.42 3.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -143.21 12.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 m -75.4 156.15 35.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.8 m -57.52 154.95 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -51.81 114.29 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.82 23.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 5' ' ' ILE . 35.6 mt -120.51 148.8 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.34 119.6 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.47 115.15 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -106.99 138.81 42.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -85.82 156.62 20.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -151.5 155.82 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -95.29 -61.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -62.58 -23.13 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 m -128.83 -175.84 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -99.16 160.76 14.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.25 134.04 56.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.516 HG12 ' HA2' ' A' ' 10' ' ' GLY . 33.8 m -141.18 150.4 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.1 m -75.57 102.64 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' CD1' ' A' ' 8' ' ' TRP . 16.0 m -99.23 154.26 37.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.49 17.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.809 0.338 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 14' ' ' ARG . 17.1 mt -87.43 120.34 71.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -170.73 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.748 2.299 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -76.39 119.5 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 62.83 68.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.1 tptt -125.28 -18.79 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.627 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.19 118.97 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -129.76 54.04 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.89 -22.58 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 p30 -129.54 3.33 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' HB2' HD11 ' A' ' 5' ' ' ILE . 22.6 mtt-85 -144.84 77.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.2 -50.76 17.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.13 56.67 3.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.32 13.92 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -76.92 143.21 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -53.36 160.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.19 126.24 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.73 10.23 60.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -119.67 162.68 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.21 132.61 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.9 t -67.39 128.56 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -130.07 142.04 50.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -89.4 121.25 31.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -101.59 146.93 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -88.42 -32.77 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -86.37 -25.08 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.8 p -137.71 170.76 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -69.11 161.19 29.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.66 131.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.627 HG12 ' HA2' ' A' ' 10' ' ' GLY . 22.2 m -141.83 155.26 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.2 m -75.27 102.74 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -87.74 153.55 52.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 130.23 19.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 14' ' ' ARG . 16.6 mt -82.77 120.32 76.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.654 0.74 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.238 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -76.6 119.49 20.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 63.29 67.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HB3' HG23 ' A' ' 5' ' ' ILE . 15.0 tptt -125.1 -18.97 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.629 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.13 119.82 4.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -130.76 39.64 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 m -60.33 -18.71 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -130.27 -39.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.474 ' HB2' HD11 ' A' ' 5' ' ' ILE . 12.4 mtt-85 -97.37 78.04 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -74.34 -51.01 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.47 58.66 3.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -147.06 16.0 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 m -78.45 142.48 37.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -52.24 161.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.7 126.7 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.18 9.43 62.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.4 mt -118.81 161.52 20.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.15 133.05 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 t -67.06 132.1 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -140.35 137.02 33.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -92.49 134.6 34.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -128.83 149.61 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -82.62 -25.66 32.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -80.17 -30.79 38.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -145.1 151.17 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -51.91 161.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.86 127.65 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.629 HG12 ' HA2' ' A' ' 10' ' ' GLY . 31.1 m -140.58 158.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -76.55 102.63 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.3 m -87.03 152.91 54.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.9 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.4 mt -79.67 128.05 75.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 111.191 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.248 . . . . 0.0 112.309 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -78.14 118.0 19.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.2 m0 61.89 73.32 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.45 -18.51 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.589 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 98.93 107.07 2.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -122.79 67.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.64 -11.29 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -147.22 18.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -149.92 68.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -73.73 -51.34 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.15 48.28 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.38 9.79 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 m -75.3 156.82 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.8 m -58.74 154.83 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.39 114.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.5 14.89 22.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 5' ' ' ILE . 36.7 mt -120.88 148.35 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.12 119.69 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -58.83 115.49 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -113.22 150.96 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -102.43 149.7 24.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -150.02 147.5 27.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -83.97 -25.28 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -76.87 -34.05 57.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -146.11 159.25 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -56.8 161.24 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -60.4 133.11 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.589 HG12 ' HA2' ' A' ' 10' ' ' GLY . 17.4 m -137.41 155.5 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.6 m -76.1 102.89 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.4 m -97.55 154.14 38.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 129.81 18.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.55 HD11 ' CB ' ' A' ' 14' ' ' ARG . 14.5 mt -82.25 120.41 77.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.21 119.42 19.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.3 m0 60.69 70.35 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB3' HG23 ' A' ' 5' ' ' ILE . 5.5 tptp -125.05 -18.81 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.88 115.28 4.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.34 41.52 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 m -60.11 -19.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -131.76 -40.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.55 ' CB ' HD11 ' A' ' 5' ' ' ILE . 9.6 mtt-85 -93.19 77.09 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.28 -51.11 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.12 58.02 2.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.45 15.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 m -77.91 141.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.62 159.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -51.66 127.68 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.12 10.09 62.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -119.61 162.63 18.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -153.21 133.88 13.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.26 111.1 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -102.96 146.39 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -98.07 168.78 10.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -173.64 147.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -92.24 -24.24 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -87.22 -27.11 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -135.26 155.22 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -66.51 161.23 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.74 136.48 55.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.45 155.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.0 m -83.49 103.19 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.95 152.43 48.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.169 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 9' ' ' LYS . 21.2 mt -84.77 122.09 74.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -170.45 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -76.53 117.66 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.87 70.41 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.36 -20.21 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.566 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 105.33 116.23 4.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.63 44.24 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -61.73 -17.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -132.17 -40.59 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -93.89 76.43 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -73.62 -51.23 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.84 54.74 4.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -142.3 12.92 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -76.83 141.48 40.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.34 159.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -52.05 127.6 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.07 8.4 63.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -117.58 163.11 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.06 132.59 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.4 t -68.02 131.64 45.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -134.04 142.02 47.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -96.63 146.17 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -125.95 179.88 5.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -111.43 -36.11 5.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -83.51 -40.39 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -115.06 -172.38 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -93.2 161.25 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.6 130.28 44.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG12 ' HA2' ' A' ' 10' ' ' GLY . 33.9 m -141.07 154.16 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -74.36 102.7 4.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 m -88.55 153.72 50.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 134.56 28.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 9' ' ' LYS . 21.1 mt -83.68 121.1 76.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.52 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -76.54 118.08 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.96 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.5 m0 63.96 69.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.17 -19.84 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.607 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.63 115.43 4.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -126.3 54.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -79.67 -20.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -131.4 4.4 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -145.75 77.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -74.43 -51.24 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.4 56.83 3.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -144.41 13.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.28 142.32 39.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -52.82 160.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.68 127.13 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.78 9.99 62.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.14 162.66 18.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.21 133.37 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.9 122.34 17.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -122.71 148.15 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -99.3 137.54 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -130.87 147.97 52.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -87.67 -25.53 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -84.95 -25.02 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -145.08 158.43 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -60.01 161.27 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.76 131.73 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.607 HG12 ' HA2' ' A' ' 10' ' ' GLY . 21.4 m -142.2 156.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.5 m -76.72 102.8 6.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.79 153.46 52.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.97 18.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.828 0.346 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.416 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.2 mt -85.11 127.17 65.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.25 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -77.22 115.57 17.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 m0 63.91 73.69 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.0 tmtt? -125.68 -19.99 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.543 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.05 111.24 3.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -123.22 47.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -63.25 -24.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -143.97 18.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -141.19 70.46 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.28 -51.25 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.31 50.69 3.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.98 8.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 m -77.58 142.35 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -51.43 166.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -59.9 123.45 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.22 5.07 58.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 mt -113.35 163.6 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 35' ' ' VAL . 6.0 pt-20 -153.39 131.07 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 130.13 42.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -124.91 135.34 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -82.75 157.17 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -148.4 141.6 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -88.09 -39.91 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -78.66 -25.47 44.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.8 m -132.5 -171.77 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -95.62 158.9 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.08 136.71 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.543 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -145.95 145.79 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.1 m -68.91 102.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' GLU . 35.8 m -93.5 152.2 40.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 131.96 22.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.5 mt -83.51 129.49 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.707 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.37 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -78.72 114.05 17.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m0 66.24 77.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 -20.37 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.57 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 99.71 99.71 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 p -118.66 63.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.12 -11.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -138.46 -41.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -88.61 71.0 8.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -73.02 -51.45 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.95 53.66 4.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -145.27 12.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 m -76.97 156.27 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -58.73 155.46 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -51.61 115.69 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.51 13.9 27.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 5' ' ' ILE . 33.6 mt -120.24 147.03 45.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -58.91 112.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -106.33 137.05 44.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -88.5 162.5 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.43 155.24 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 tpt85 -91.59 -57.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -61.68 -25.44 67.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -126.62 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -104.78 159.85 15.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.13 128.87 39.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.57 HG12 ' HA2' ' A' ' 10' ' ' GLY . 27.1 m -140.84 153.46 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -77.94 102.9 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.22 154.12 37.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 129.71 17.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.29 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 9' ' ' LYS . 20.0 mt -84.76 126.19 69.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.29 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -76.58 119.46 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.85 72.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.3 tptp -126.04 -19.14 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.545 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.84 118.5 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -129.64 46.18 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.34 -23.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -145.06 20.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -142.52 71.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -74.08 -51.16 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.81 51.77 2.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -139.68 8.95 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -78.35 142.06 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -51.58 161.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -55.19 124.57 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.04 6.89 58.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.59 163.48 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.0 pt-20 -153.43 132.02 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.32 132.61 48.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -125.92 132.77 52.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -80.7 159.76 25.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -157.14 143.41 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -56.1 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -59.97 -34.07 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -124.21 -170.23 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -99.05 159.25 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.28 137.95 57.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' HA2' ' A' ' 10' ' ' GLY . 12.8 m -145.87 147.68 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.7 m -70.53 102.36 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.2 m -92.46 151.55 41.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 130.25 19.05 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 14' ' ' ARG . 18.4 mt -84.17 125.53 72.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -77.63 119.53 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.1 m0 61.68 70.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HB3' HG23 ' A' ' 5' ' ' ILE . 7.2 tptp -126.09 -19.24 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.646 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.33 120.55 4.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -129.71 37.04 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -62.14 -18.8 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.27 14.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' HB2' HD11 ' A' ' 5' ' ' ILE . 21.2 mtt85 -145.55 72.86 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -74.39 -51.3 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.87 53.48 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.58 11.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 m -78.41 142.45 37.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -51.52 163.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.73 124.15 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.18 6.08 59.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.06 162.91 16.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 35' ' ' VAL . 15.8 pt-20 -153.42 132.12 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.79 131.29 45.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -134.68 139.23 45.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -95.34 141.21 29.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 -138.57 150.31 46.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -84.44 -24.04 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -78.41 -31.07 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 t -148.25 156.71 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -55.49 161.13 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.26 133.66 55.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.646 HG12 ' HA2' ' A' ' 10' ' ' GLY . 17.4 m -143.56 151.6 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -70.32 102.26 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 23' ' ' GLU . 35.9 m -91.2 150.63 41.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.56 19.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.4 mt -85.42 126.64 66.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -170.3 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -76.33 119.02 19.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.1 m0 59.67 73.58 0.48 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HB3' HG23 ' A' ' 5' ' ' ILE . 9.1 tptt -126.14 -19.25 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.556 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.2 116.73 3.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -128.16 44.7 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 m -62.97 -20.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -147.97 19.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -142.61 71.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -74.25 -51.17 16.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.65 49.53 3.14 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -138.21 7.92 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 m -77.05 142.03 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.2 m -51.3 161.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.23 122.88 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.89 7.65 56.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -115.05 164.87 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 35' ' ' VAL . 12.9 pt-20 -153.55 128.16 9.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.02 131.91 47.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -126.37 134.54 51.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -77.87 168.39 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -164.01 139.83 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -84.48 -63.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -60.05 -35.8 75.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -114.01 -170.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -104.68 157.74 16.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.04 135.66 57.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.0 m -145.73 151.27 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.6 m -73.93 102.21 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 23' ' ' GLU . 30.4 m -93.24 151.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 131.77 21.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' A' ' 9' ' ' LYS . 19.1 mt -84.75 125.76 70.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.35 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -77.09 119.49 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.86 71.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 5' ' ' ILE . 7.2 tptp -126.05 -19.18 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.596 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.13 120.28 4.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.48 43.28 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.2 -18.45 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -147.06 17.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -142.73 72.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -74.11 -51.21 16.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.53 51.97 3.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -140.44 9.63 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.3 142.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -51.57 163.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -56.43 124.23 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.22 4.92 59.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.52 162.9 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 35' ' ' VAL . 13.6 pt-20 -153.47 132.59 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.35 134.23 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -136.31 136.17 39.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.73 150.96 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -155.2 151.13 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -79.92 -24.28 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -69.81 -43.98 70.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.9 p -142.27 161.7 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -57.63 161.0 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.93 135.72 56.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.596 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.8 m -145.06 149.99 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -70.8 102.24 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 23' ' ' GLU . 34.8 m -91.51 150.91 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.75 21.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.919 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 9' ' ' LYS . 17.6 mt -85.71 126.86 64.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -170.16 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -77.92 116.8 18.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.0 m0 63.99 72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -125.92 -19.84 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.527 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.7 114.52 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.498 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.87 40.45 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -49.67 -30.54 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -132.54 -35.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HB2' HD11 ' A' ' 5' ' ' ILE . 3.2 mtt85 -79.36 72.4 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -72.46 -51.22 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.67 57.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.64 10.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -78.52 142.73 37.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.39 163.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.27 125.66 22.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.88 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.24 163.58 13.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 35' ' ' VAL . 8.5 pt-20 -153.63 124.91 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 130.19 45.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -130.1 138.79 50.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -91.22 148.38 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -142.19 145.24 33.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -86.52 -25.92 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -81.97 -25.84 34.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -150.9 159.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -56.54 161.13 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -61.45 141.97 57.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.527 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.4 m -146.16 150.55 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -71.8 102.42 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.0 m -92.54 150.16 39.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.682 0.753 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.58 19.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -80.05 127.61 76.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -170.96 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -77.47 119.0 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.426 ' CD1' HG12 ' A' ' 35' ' ' VAL . 7.5 m0 60.44 73.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -124.8 -18.73 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.51 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 99.11 110.34 3.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -127.39 70.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.32 -13.48 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -139.19 11.24 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -149.3 70.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -72.93 -51.34 18.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.51 53.22 4.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.52 12.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.26 157.82 32.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -59.51 155.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.93 114.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.17 15.06 22.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.91 149.3 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -138.06 118.84 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.08 114.72 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -109.1 148.26 31.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.48 139.99 36.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -133.28 152.22 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -89.93 -27.32 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -86.82 -25.76 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -141.23 161.25 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 33' ' ' VAL . 19.4 p90 -65.61 160.91 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.65 132.78 54.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.51 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.6 m -138.17 156.15 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.9 m -77.87 102.86 7.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 8' ' ' TRP . 16.4 m -98.53 154.2 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.58 17.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.379 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' HB3' ' A' ' 9' ' ' LYS . 16.1 mt -86.82 119.91 71.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.69 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.13 119.45 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 62.62 68.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.3 tptp -125.28 -18.76 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.566 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.87 119.74 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -132.86 56.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.408 HG12 ' CD ' ' A' ' 32' ' ' GLU . 17.3 m -80.04 -20.51 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -132.64 5.55 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -145.51 76.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -74.02 -50.88 17.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.81 54.68 4.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -142.33 12.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -76.82 142.61 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.1 m -52.89 160.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.54 127.12 21.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.32 61.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -118.88 162.29 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -153.14 131.11 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.76 132.17 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -135.84 140.27 44.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 143.07 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -156.75 156.28 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -73.17 -24.85 60.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -58.53 -43.96 89.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -155.59 162.19 40.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -51.95 161.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' CD ' HG12 ' A' ' 12' ' ' VAL . 1.5 mp0 -56.99 130.04 44.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG12 ' HA2' ' A' ' 10' ' ' GLY . 22.3 m -142.8 151.11 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.9 m -72.78 102.73 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.17 153.32 51.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.24 18.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.936 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 9' ' ' LYS . 16.0 mt -86.61 128.27 57.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -169.63 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -76.75 114.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.04 75.22 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.0 tmtt? -125.5 -20.29 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 109.43 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -120.57 42.98 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.1 m -59.08 -26.83 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -143.19 20.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -142.22 69.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -72.33 -51.26 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.66 48.62 3.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.99 5.63 3.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 m -74.47 141.21 44.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -52.96 165.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.97 123.09 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.23 7.34 57.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -115.1 166.12 12.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -153.13 132.55 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -68.76 116.82 9.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -104.9 148.15 26.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -97.65 147.95 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.39 149.27 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -89.44 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -67.74 -23.42 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -114.62 -170.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -108.34 161.43 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.09 134.67 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 m -146.94 150.94 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.7 m -79.28 102.53 8.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -93.51 152.19 40.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 132.99 24.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.916 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.92 129.45 64.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.294 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.56 116.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.435 ' HE1' HG12 ' A' ' 35' ' ' VAL . 7.8 m0 63.71 74.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -124.81 -19.36 5.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 100.11 106.05 2.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.99 68.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -82.23 -12.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -141.97 12.78 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -149.74 69.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -72.64 -51.46 19.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.25 52.93 4.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -145.11 11.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.78 158.23 31.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.0 m -59.9 155.88 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -52.04 114.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.72 14.4 23.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.72 148.12 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.24 119.74 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.4 113.52 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -107.9 148.38 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -100.23 145.73 27.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -143.1 146.35 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -84.26 -26.99 28.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -87.65 -28.19 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -137.27 152.65 50.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.522 ' O ' HG13 ' A' ' 33' ' ' VAL . 17.3 p90 -62.48 160.67 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.91 130.89 47.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 31' ' ' PHE . 17.3 m -138.91 153.92 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.22 102.93 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 8' ' ' TRP . 17.2 m -99.18 154.14 37.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 129.66 17.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.898 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 9' ' ' LYS . 15.8 mt -85.75 126.45 66.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -170.24 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -76.82 115.49 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.0 m0 63.8 73.64 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' HG23 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -125.64 -19.89 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.59 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.13 112.97 3.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.44 46.52 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.93 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -143.67 18.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -141.29 70.75 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.7 -51.14 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.61 50.71 3.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.15 9.31 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 m -77.22 143.34 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -51.72 164.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -58.87 121.44 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 8.21 54.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.0 mt -116.53 164.36 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -153.37 132.77 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -68.22 130.26 42.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -128.31 136.16 50.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -88.63 154.55 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -135.08 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -107.38 -24.69 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -101.28 -24.18 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -131.22 171.69 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -79.33 158.48 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.93 136.98 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.59 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -144.84 148.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.9 m -69.88 102.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -94.04 152.04 40.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.78 40.92 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.877 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.828 0.347 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.8 mt -84.94 126.16 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.36 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.335 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -76.76 119.25 20.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.4 m0 60.39 72.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.97 -19.22 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.574 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.56 117.4 3.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.46 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.31 45.37 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -62.69 -23.65 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -144.33 19.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -142.58 71.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.16 -51.25 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.26 51.21 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.71 9.32 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.2 142.44 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.9 m -51.51 167.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.56 127.03 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 6.55 64.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -113.51 161.88 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' VAL . 15.1 pt-20 -153.28 132.25 12.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.56 131.53 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -130.34 136.11 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -91.05 135.74 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -115.13 165.93 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -103.47 -24.97 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -104.77 -8.46 18.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -146.95 159.5 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -67.46 158.46 31.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -57.09 137.58 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.574 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.5 m -145.39 148.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.9 m -70.86 102.23 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 23' ' ' GLU . 28.2 m -92.17 151.22 41.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.966 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.771 0.32 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 14' ' ' ARG . 13.7 mt -81.32 119.22 75.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.78 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.75 2.3 . . . . 0.0 112.366 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -76.18 120.26 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 62.58 67.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -125.48 -18.69 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.606 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.97 124.52 5.42 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -133.84 39.7 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.56 -20.4 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -130.19 -39.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HB2' HD11 ' A' ' 5' ' ' ILE . 2.7 mtt85 -95.2 78.22 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.43 -51.06 15.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.35 59.07 2.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.8 16.33 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -78.4 143.23 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -53.32 160.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.04 126.48 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.27 10.38 60.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -120.52 161.17 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -153.24 133.91 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.16 129.74 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -123.47 144.57 49.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -102.37 109.07 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -104.33 145.01 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -35.34 26.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -83.56 -25.92 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -133.47 143.83 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -54.02 161.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -56.88 131.41 49.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.606 HG12 ' HA2' ' A' ' 10' ' ' GLY . 14.5 m -144.39 156.34 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.57 102.75 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -88.76 153.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.873 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.8 mt -83.82 126.84 69.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -77.23 116.03 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.9 m0 63.91 73.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -125.65 -19.78 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.906 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.551 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.02 111.61 3.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 p -121.92 46.46 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.911 0.386 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -62.98 -22.52 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -146.2 20.02 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -142.36 71.63 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -74.35 -51.16 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.19 51.7 3.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -140.49 9.26 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 m -78.25 141.94 38.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -51.45 161.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.86 125.37 19.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.66 3.07 61.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.9 mt -111.81 162.98 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' VAL . 7.9 pt-20 -153.33 131.39 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t -65.99 132.27 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -128.8 132.75 47.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.03 157.18 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -152.86 148.54 27.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -91.01 -35.96 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -73.95 -28.41 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 m -138.12 -174.05 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -89.52 157.29 18.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.99 137.55 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.551 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -145.5 149.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.6 m -71.92 102.42 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 23' ' ' GLU . 33.0 m -92.82 151.82 41.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 130.32 19.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -111.24 157.27 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.68 85.54 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.3 p -175.06 157.93 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 9' ' ' LYS . 17.5 mt -84.71 126.6 68.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.19 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.53 119.23 20.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.67 73.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.5 tptp -126.02 -19.38 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.588 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.58 118.32 3.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -130.73 47.03 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.33 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -145.1 19.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -141.14 71.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -74.16 -51.2 16.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 49.98 3.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.21 8.53 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 m -77.86 142.08 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.7 m -51.57 163.91 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -57.02 124.87 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.89 8.36 59.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.84 163.49 15.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.321 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.9 pt-20 -153.44 131.55 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -67.61 131.27 45.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -130.53 133.73 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.14 142.84 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -125.7 155.88 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -95.21 -24.57 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -96.82 -25.47 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -136.13 163.25 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -67.49 159.39 29.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.73 138.01 55.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.588 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.0 m -145.3 148.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.2 m -70.2 102.2 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 23' ' ' GLU . 33.9 m -92.61 151.65 41.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.188 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.79 24.07 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.14 137.17 56.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.17 159.68 56.25 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 170.42 16.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -108.4 111.51 23.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -88.58 164.76 15.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -120.56 95.79 4.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -174.99 161.19 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.5 127.9 71.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.622 0.725 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -77.75 118.7 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.436 ' HE1' HG12 ' A' ' 35' ' ' VAL . 8.6 m0 61.05 73.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -124.67 -18.54 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.537 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 98.68 109.19 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.44 70.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.38 -12.8 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -139.79 11.44 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -149.79 70.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.74 -51.36 19.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.35 53.26 4.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -145.7 12.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 m -76.68 157.29 31.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 155.59 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -51.97 113.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.8 14.66 22.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.83 149.24 42.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.745 0.307 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -137.97 118.41 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -59.32 112.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -106.36 142.21 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -98.27 139.99 33.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -138.8 147.87 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -84.41 -26.62 28.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -87.4 -26.87 23.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -139.83 145.14 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -55.57 161.16 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.77 131.92 52.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG12 ' HA2' ' A' ' 10' ' ' GLY . 34.3 m -139.95 152.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -76.84 102.86 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG12 ' HE1' ' A' ' 8' ' ' TRP . 16.4 m -99.23 154.28 37.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.569 0.699 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.64 17.92 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -52.2 144.21 12.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.61 159.65 82.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.19 5.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -95.44 110.75 22.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -141.23 119.17 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -109.9 -11.82 14.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p -174.62 153.71 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.582 HD11 ' CB ' ' A' ' 14' ' ' ARG . 14.7 mt -81.48 120.57 78.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.614 2.209 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -74.25 118.57 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.2 m0 60.11 72.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.4 tptt -124.83 -18.82 5.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 105.59 108.64 3.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.78 42.53 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -60.24 -19.37 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -132.68 -40.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.582 ' CB ' HD11 ' A' ' 5' ' ' ILE . 8.4 mtt-85 -92.18 76.95 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.33 -51.23 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.2 58.28 2.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.99 16.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 m -78.23 141.73 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -51.82 159.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -51.94 127.18 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.75 10.11 61.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -119.44 162.93 18.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -153.18 133.5 13.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -68.23 112.99 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -104.62 148.48 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -95.52 160.73 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -155.82 134.23 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -80.41 -44.84 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -79.31 -27.25 42.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -116.72 -169.4 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -106.42 161.04 14.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.18 129.95 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.8 m -146.05 154.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.87 103.35 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.93 152.69 46.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.96 18.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -63.15 143.23 57.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.04 159.64 40.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 129.11 17.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -66.85 131.3 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.783 0.325 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -95.24 77.01 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -100.72 85.68 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.2 p -173.76 161.41 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.402 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.4 mt -81.11 129.16 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -77.2 116.02 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.521 ' CD1' HG12 ' A' ' 35' ' ' VAL . 6.3 m0 61.69 76.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -124.4 -18.88 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.516 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 101.29 103.6 2.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 p -121.18 64.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.25 -14.14 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -139.16 -41.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -83.79 70.34 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -74.08 -51.38 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.59 51.42 3.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -143.21 12.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 m -75.4 156.15 35.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.8 m -57.52 154.95 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -51.81 114.29 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.82 23.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 5' ' ' ILE . 35.6 mt -120.51 148.8 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.34 119.6 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.47 115.15 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -106.99 138.81 42.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -85.82 156.62 20.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -151.5 155.82 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -95.29 -61.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -62.58 -23.13 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 m -128.83 -175.84 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -99.16 160.76 14.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.25 134.04 56.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.516 HG12 ' HA2' ' A' ' 10' ' ' GLY . 33.8 m -141.18 150.4 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.1 m -75.57 102.64 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' CD1' ' A' ' 8' ' ' TRP . 16.0 m -99.23 154.26 37.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.49 17.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -52.06 145.86 9.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.24 159.59 72.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 95.41 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -111.78 113.59 26.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -116.86 34.91 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -81.05 81.88 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.2 p -174.55 159.87 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 14' ' ' ARG . 17.1 mt -87.43 120.34 71.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -170.73 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.748 2.299 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -76.39 119.5 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 62.83 68.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.1 tptt -125.28 -18.79 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.627 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.19 118.97 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -129.76 54.04 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.89 -22.58 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 p30 -129.54 3.33 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' HB2' HD11 ' A' ' 5' ' ' ILE . 22.6 mtt-85 -144.84 77.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.2 -50.76 17.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.13 56.67 3.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.32 13.92 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -76.92 143.21 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -53.36 160.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.19 126.24 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.73 10.23 60.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -119.67 162.68 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.21 132.61 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.9 t -67.39 128.56 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -130.07 142.04 50.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -89.4 121.25 31.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -101.59 146.93 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -88.42 -32.77 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -86.37 -25.08 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.8 p -137.71 170.76 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -69.11 161.19 29.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.66 131.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.627 HG12 ' HA2' ' A' ' 10' ' ' GLY . 22.2 m -141.83 155.26 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.2 m -75.27 102.74 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -87.74 153.55 52.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 130.23 19.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -63.03 142.19 58.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.1 159.57 63.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.629 2.219 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -94.72 109.09 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.74 101.3 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -106.75 65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.4 p -174.49 154.15 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 14' ' ' ARG . 16.6 mt -82.77 120.32 76.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.654 0.74 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.238 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -76.6 119.49 20.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 63.29 67.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HB3' HG23 ' A' ' 5' ' ' ILE . 15.0 tptt -125.1 -18.97 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.629 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.13 119.82 4.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -130.76 39.64 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 m -60.33 -18.71 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -130.27 -39.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.474 ' HB2' HD11 ' A' ' 5' ' ' ILE . 12.4 mtt-85 -97.37 78.04 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -74.34 -51.01 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.47 58.66 3.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -147.06 16.0 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 m -78.45 142.48 37.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -52.24 161.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.7 126.7 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.18 9.43 62.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.4 mt -118.81 161.52 20.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.15 133.05 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 t -67.06 132.1 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -140.35 137.02 33.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -92.49 134.6 34.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -128.83 149.61 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -82.62 -25.66 32.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -80.17 -30.79 38.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -145.1 151.17 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -51.91 161.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.86 127.65 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.629 HG12 ' HA2' ' A' ' 10' ' ' GLY . 31.1 m -140.58 158.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -76.55 102.63 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.3 m -87.03 152.91 54.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.9 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -62.15 140.75 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.42 159.65 30.67 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.58 0.705 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 82.76 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -116.25 109.56 17.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -148.91 135.85 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -111.0 41.99 1.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -174.81 161.19 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.4 mt -79.67 128.05 75.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 111.191 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.248 . . . . 0.0 112.309 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -78.14 118.0 19.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.2 m0 61.89 73.32 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.45 -18.51 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.589 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 98.93 107.07 2.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -122.79 67.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -78.64 -11.29 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -147.22 18.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -149.92 68.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -73.73 -51.34 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.15 48.28 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.38 9.79 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 m -75.3 156.82 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.8 m -58.74 154.83 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.39 114.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.5 14.89 22.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 5' ' ' ILE . 36.7 mt -120.88 148.35 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.12 119.69 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -58.83 115.49 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -113.22 150.96 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -102.43 149.7 24.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -150.02 147.5 27.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -83.97 -25.28 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -76.87 -34.05 57.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -146.11 159.25 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -56.8 161.24 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -60.4 133.11 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.589 HG12 ' HA2' ' A' ' 10' ' ' GLY . 17.4 m -137.41 155.5 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.6 m -76.1 102.89 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.4 m -97.55 154.14 38.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 129.81 18.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -52.33 145.23 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.57 159.68 37.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 83.83 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -101.24 112.08 24.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.856 0.36 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -130.32 104.03 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.36 80.95 9.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 p -174.49 154.06 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.55 HD11 ' CB ' ' A' ' 14' ' ' ARG . 14.5 mt -82.25 120.41 77.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.21 119.42 19.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.3 m0 60.69 70.35 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB3' HG23 ' A' ' 5' ' ' ILE . 5.5 tptp -125.05 -18.81 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.88 115.28 4.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.34 41.52 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 m -60.11 -19.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -131.76 -40.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.55 ' CB ' HD11 ' A' ' 5' ' ' ILE . 9.6 mtt-85 -93.19 77.09 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.28 -51.11 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.12 58.02 2.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.45 15.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 m -77.91 141.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.62 159.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -51.66 127.68 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.12 10.09 62.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -119.61 162.63 18.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -153.21 133.88 13.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.26 111.1 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -102.96 146.39 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -98.07 168.78 10.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -173.64 147.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -92.24 -24.24 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -87.22 -27.11 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -135.26 155.22 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -66.51 161.23 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.74 136.48 55.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.45 155.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.0 m -83.49 103.19 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.95 152.43 48.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.169 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -62.28 145.99 52.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.11 159.64 58.39 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.724 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 172.91 11.8 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.715 2.276 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -87.6 120.59 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.832 0.348 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -108.97 108.73 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -120.7 -1.27 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p -174.48 154.8 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 9' ' ' LYS . 21.2 mt -84.77 122.09 74.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -170.45 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -76.53 117.66 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.87 70.41 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.36 -20.21 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.566 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 105.33 116.23 4.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.63 44.24 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -61.73 -17.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -132.17 -40.59 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -93.89 76.43 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -73.62 -51.23 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.84 54.74 4.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -142.3 12.92 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -76.83 141.48 40.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.34 159.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -52.05 127.6 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.07 8.4 63.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -117.58 163.11 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.06 132.59 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.4 t -68.02 131.64 45.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -134.04 142.02 47.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -96.63 146.17 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -125.95 179.88 5.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -111.43 -36.11 5.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -83.51 -40.39 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -115.06 -172.38 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -93.2 161.25 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.6 130.28 44.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG12 ' HA2' ' A' ' 10' ' ' GLY . 33.9 m -141.07 154.16 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -74.36 102.7 4.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 m -88.55 153.72 50.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 134.56 28.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -67.21 141.13 57.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.61 159.63 45.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 0.0 111.132 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 108.31 2.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.739 2.293 . . . . 0.0 112.37 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -75.58 132.43 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.63 176.41 5.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -93.82 -8.68 39.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 p -174.56 153.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 9' ' ' LYS . 21.1 mt -83.68 121.1 76.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.52 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -76.54 118.08 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.96 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.5 m0 63.96 69.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.17 -19.84 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.607 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.63 115.43 4.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -126.3 54.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -79.67 -20.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -131.4 4.4 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -145.75 77.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -74.43 -51.24 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.4 56.83 3.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -144.41 13.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.28 142.32 39.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -52.82 160.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.68 127.13 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.78 9.99 62.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.14 162.66 18.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.21 133.37 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.9 122.34 17.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -122.71 148.15 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -99.3 137.54 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -130.87 147.97 52.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -87.67 -25.53 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -84.95 -25.02 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -145.08 158.43 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -60.01 161.27 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.76 131.73 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.607 HG12 ' HA2' ' A' ' 10' ' ' GLY . 21.4 m -142.2 156.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.5 m -76.72 102.8 6.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.79 153.46 52.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.97 18.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -62.45 141.89 58.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.65 159.61 43.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 137.02 34.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -84.04 138.15 33.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.0 114.12 10.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -100.11 -44.92 5.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p -175.13 158.66 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.416 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.2 mt -85.11 127.17 65.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.25 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -77.22 115.57 17.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 m0 63.91 73.69 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.0 tmtt? -125.68 -19.99 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.543 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.05 111.24 3.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -123.22 47.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -63.25 -24.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -143.97 18.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -141.19 70.46 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.28 -51.25 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.31 50.69 3.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.98 8.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 m -77.58 142.35 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -51.43 166.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -59.9 123.45 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.22 5.07 58.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 mt -113.35 163.6 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 35' ' ' VAL . 6.0 pt-20 -153.39 131.07 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 130.13 42.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -124.91 135.34 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -82.75 157.17 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -148.4 141.6 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -88.09 -39.91 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -78.66 -25.47 44.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.8 m -132.5 -171.77 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -95.62 158.9 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.08 136.71 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.543 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -145.95 145.79 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.1 m -68.91 102.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' GLU . 35.8 m -93.5 152.2 40.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 131.96 22.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.51 139.17 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.98 159.6 71.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.524 0.678 . . . . 0.0 111.186 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -174.9 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -116.63 118.48 32.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.44 72.09 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -126.01 84.18 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p -172.95 161.63 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.5 mt -83.51 129.49 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.707 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.37 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -78.72 114.05 17.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m0 66.24 77.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 -20.37 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.57 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 99.71 99.71 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 p -118.66 63.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.12 -11.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -138.46 -41.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -88.61 71.0 8.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -73.02 -51.45 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.95 53.66 4.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -145.27 12.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 m -76.97 156.27 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -58.73 155.46 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -51.61 115.69 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.51 13.9 27.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 5' ' ' ILE . 33.6 mt -120.24 147.03 45.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -58.91 112.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -106.33 137.05 44.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -88.5 162.5 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.43 155.24 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 tpt85 -91.59 -57.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -61.68 -25.44 67.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -126.62 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -104.78 159.85 15.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.13 128.87 39.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.57 HG12 ' HA2' ' A' ' 10' ' ' GLY . 27.1 m -140.84 153.46 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -77.94 102.9 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.22 154.12 37.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 129.71 17.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.29 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -53.03 145.2 13.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.31 159.63 11.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.36 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -117.03 123.19 46.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -138.44 126.93 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -121.04 21.52 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -174.9 156.84 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 9' ' ' LYS . 20.0 mt -84.76 126.19 69.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.29 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -76.58 119.46 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.85 72.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.3 tptp -126.04 -19.14 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.545 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.84 118.5 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -129.64 46.18 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.34 -23.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -145.06 20.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -142.52 71.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -74.08 -51.16 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.81 51.77 2.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -139.68 8.95 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -78.35 142.06 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -51.58 161.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -55.19 124.57 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.04 6.89 58.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.59 163.48 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.0 pt-20 -153.43 132.02 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.32 132.61 48.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -125.92 132.77 52.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -80.7 159.76 25.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -157.14 143.41 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -56.1 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -59.97 -34.07 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -124.21 -170.23 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -99.05 159.25 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.28 137.95 57.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' HA2' ' A' ' 10' ' ' GLY . 12.8 m -145.87 147.68 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.7 m -70.53 102.36 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.2 m -92.46 151.55 41.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 130.25 19.05 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.3 143.19 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.67 159.6 54.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 142.0 46.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.389 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -105.61 111.51 24.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.842 0.353 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -115.76 40.39 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -85.24 -44.49 12.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p -174.92 156.75 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 14' ' ' ARG . 18.4 mt -84.17 125.53 72.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -77.63 119.53 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.1 m0 61.68 70.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HB3' HG23 ' A' ' 5' ' ' ILE . 7.2 tptp -126.09 -19.24 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.646 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.33 120.55 4.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -129.71 37.04 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -62.14 -18.8 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.27 14.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' HB2' HD11 ' A' ' 5' ' ' ILE . 21.2 mtt85 -145.55 72.86 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -74.39 -51.3 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.87 53.48 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.58 11.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 m -78.41 142.45 37.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -51.52 163.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.73 124.15 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.18 6.08 59.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.06 162.91 16.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 35' ' ' VAL . 15.8 pt-20 -153.42 132.12 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.79 131.29 45.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -134.68 139.23 45.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -95.34 141.21 29.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 -138.57 150.31 46.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -84.44 -24.04 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -78.41 -31.07 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 t -148.25 156.71 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -55.49 161.13 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.26 133.66 55.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.646 HG12 ' HA2' ' A' ' 10' ' ' GLY . 17.4 m -143.56 151.6 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -70.32 102.26 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 23' ' ' GLU . 35.9 m -91.2 150.63 41.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.56 19.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -63.85 135.82 56.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.15 159.68 28.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 110.0 2.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -95.73 110.0 22.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -146.18 137.24 24.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.38 -40.43 36.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 p -175.18 159.52 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.4 mt -85.42 126.64 66.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -170.3 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -76.33 119.02 19.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.1 m0 59.67 73.58 0.48 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HB3' HG23 ' A' ' 5' ' ' ILE . 9.1 tptt -126.14 -19.25 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.556 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.2 116.73 3.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -128.16 44.7 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 m -62.97 -20.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -147.97 19.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -142.61 71.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -74.25 -51.17 16.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.65 49.53 3.14 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -138.21 7.92 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 m -77.05 142.03 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.2 m -51.3 161.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.23 122.88 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.89 7.65 56.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -115.05 164.87 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 35' ' ' VAL . 12.9 pt-20 -153.55 128.16 9.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.02 131.91 47.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -126.37 134.54 51.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -77.87 168.39 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -164.01 139.83 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -84.48 -63.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -60.05 -35.8 75.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -114.01 -170.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -104.68 157.74 16.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.04 135.66 57.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.0 m -145.73 151.27 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.6 m -73.93 102.21 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 23' ' ' GLU . 30.4 m -93.24 151.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 131.77 21.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.7 138.61 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.53 159.58 29.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.561 0.696 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 123.35 10.02 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -112.74 117.13 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -88.03 67.53 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -118.35 -52.27 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.5 p -174.92 157.47 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' A' ' 9' ' ' LYS . 19.1 mt -84.75 125.76 70.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.35 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -77.09 119.49 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.86 71.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 5' ' ' ILE . 7.2 tptp -126.05 -19.18 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.596 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.13 120.28 4.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.48 43.28 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.2 -18.45 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -147.06 17.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -142.73 72.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -74.11 -51.21 16.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.53 51.97 3.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -140.44 9.63 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.3 142.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -51.57 163.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -56.43 124.23 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.22 4.92 59.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.52 162.9 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 35' ' ' VAL . 13.6 pt-20 -153.47 132.59 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.35 134.23 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -136.31 136.17 39.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.73 150.96 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -155.2 151.13 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -79.92 -24.28 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -69.81 -43.98 70.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.9 p -142.27 161.7 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -57.63 161.0 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.93 135.72 56.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.596 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.8 m -145.06 149.99 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -70.8 102.24 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 23' ' ' GLU . 34.8 m -91.51 150.91 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.75 21.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -65.05 135.63 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.45 159.67 43.72 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.535 0.683 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.75 2.89 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 109.21 20.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -103.0 42.07 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.33 -27.14 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.3 p -175.1 159.34 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 9' ' ' LYS . 17.6 mt -85.71 126.86 64.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -170.16 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -77.92 116.8 18.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.0 m0 63.99 72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -125.92 -19.84 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.527 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.7 114.52 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.498 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.87 40.45 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -49.67 -30.54 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -132.54 -35.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HB2' HD11 ' A' ' 5' ' ' ILE . 3.2 mtt85 -79.36 72.4 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -72.46 -51.22 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.67 57.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.64 10.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -78.52 142.73 37.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.39 163.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.27 125.66 22.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.88 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.24 163.58 13.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 35' ' ' VAL . 8.5 pt-20 -153.63 124.91 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 130.19 45.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -130.1 138.79 50.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -91.22 148.38 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -142.19 145.24 33.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -86.52 -25.92 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -81.97 -25.84 34.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -150.9 159.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -56.54 161.13 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -61.45 141.97 57.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.527 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.4 m -146.16 150.55 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -71.8 102.42 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.0 m -92.54 150.16 39.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.682 0.753 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.58 19.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.26 142.69 58.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.29 159.6 29.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.551 0.691 . . . . 0.0 111.179 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 172.27 13.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -92.16 109.09 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -136.81 101.21 4.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -109.36 92.94 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -172.54 161.11 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -80.05 127.61 76.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -170.96 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -77.47 119.0 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.426 ' CD1' HG12 ' A' ' 35' ' ' VAL . 7.5 m0 60.44 73.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -124.8 -18.73 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.51 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 99.11 110.34 3.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -127.39 70.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.32 -13.48 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -139.19 11.24 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -149.3 70.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -72.93 -51.34 18.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.51 53.22 4.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.52 12.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.26 157.82 32.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -59.51 155.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.93 114.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.17 15.06 22.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.91 149.3 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -138.06 118.84 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.08 114.72 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -109.1 148.26 31.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.48 139.99 36.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -133.28 152.22 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -89.93 -27.32 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -86.82 -25.76 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -141.23 161.25 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 33' ' ' VAL . 19.4 p90 -65.61 160.91 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.65 132.78 54.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.51 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.6 m -138.17 156.15 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.9 m -77.87 102.86 7.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 8' ' ' TRP . 16.4 m -98.53 154.2 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.58 17.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.379 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -52.06 145.22 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.96 159.65 31.03 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.541 0.686 . . . . 0.0 111.164 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 88.52 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -93.59 109.35 20.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -138.3 128.82 26.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -132.99 94.43 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.75 159.89 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' HB3' ' A' ' 9' ' ' LYS . 16.1 mt -86.82 119.91 71.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.69 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.13 119.45 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 62.62 68.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.3 tptp -125.28 -18.76 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.566 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.87 119.74 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -132.86 56.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.408 HG12 ' CD ' ' A' ' 32' ' ' GLU . 17.3 m -80.04 -20.51 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -132.64 5.55 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -145.51 76.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -74.02 -50.88 17.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.81 54.68 4.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -142.33 12.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -76.82 142.61 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.1 m -52.89 160.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.54 127.12 21.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.32 61.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -118.88 162.29 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -153.14 131.11 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.76 132.17 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -135.84 140.27 44.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 143.07 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -156.75 156.28 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -73.17 -24.85 60.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -58.53 -43.96 89.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -155.59 162.19 40.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -51.95 161.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' CD ' HG12 ' A' ' 12' ' ' VAL . 1.5 mp0 -56.99 130.04 44.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG12 ' HA2' ' A' ' 10' ' ' GLY . 22.3 m -142.8 151.11 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.9 m -72.78 102.73 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.17 153.32 51.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.24 18.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -62.94 143.61 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.37 159.62 31.53 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.37 4.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -81.74 115.64 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -86.14 146.16 26.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -114.15 33.8 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -175.21 161.18 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 9' ' ' LYS . 16.0 mt -86.61 128.27 57.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -169.63 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -76.75 114.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.04 75.22 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.0 tmtt? -125.5 -20.29 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 109.43 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -120.57 42.98 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.1 m -59.08 -26.83 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -143.19 20.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -142.22 69.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -72.33 -51.26 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.66 48.62 3.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.99 5.63 3.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 m -74.47 141.21 44.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -52.96 165.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.97 123.09 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.23 7.34 57.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -115.1 166.12 12.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -153.13 132.55 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -68.76 116.82 9.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -104.9 148.15 26.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -97.65 147.95 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.39 149.27 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -89.44 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -67.74 -23.42 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -114.62 -170.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -108.34 161.43 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.09 134.67 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 m -146.94 150.94 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.7 m -79.28 102.53 8.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -93.51 152.19 40.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 132.99 24.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -66.45 138.48 57.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.81 159.6 31.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.609 0.718 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 164.27 35.1 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.39 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -113.1 111.65 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -148.01 135.34 20.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -127.5 103.77 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.36 161.62 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.92 129.45 64.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.294 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.56 116.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.435 ' HE1' HG12 ' A' ' 35' ' ' VAL . 7.8 m0 63.71 74.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -124.81 -19.36 5.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 100.11 106.05 2.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.99 68.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -82.23 -12.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -141.97 12.78 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -149.74 69.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -72.64 -51.46 19.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.25 52.93 4.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -145.11 11.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.78 158.23 31.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.0 m -59.9 155.88 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -52.04 114.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.72 14.4 23.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.72 148.12 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.24 119.74 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.4 113.52 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -107.9 148.38 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -100.23 145.73 27.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -143.1 146.35 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -84.26 -26.99 28.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -87.65 -28.19 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -137.27 152.65 50.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.522 ' O ' HG13 ' A' ' 33' ' ' VAL . 17.3 p90 -62.48 160.67 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.91 130.89 47.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 31' ' ' PHE . 17.3 m -138.91 153.92 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.22 102.93 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 8' ' ' TRP . 17.2 m -99.18 154.14 37.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 129.66 17.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -52.49 145.2 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.32 159.64 67.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 105.52 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 118.42 36.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.951 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -87.84 169.11 12.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -100.13 -19.61 16.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.9 p -175.2 160.34 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 9' ' ' LYS . 15.8 mt -85.75 126.45 66.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -170.24 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -76.82 115.49 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.0 m0 63.8 73.64 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' HG23 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -125.64 -19.89 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.59 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.13 112.97 3.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.44 46.52 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.93 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -143.67 18.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -141.29 70.75 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.7 -51.14 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.61 50.71 3.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.15 9.31 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 m -77.22 143.34 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -51.72 164.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -58.87 121.44 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 8.21 54.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.0 mt -116.53 164.36 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -153.37 132.77 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -68.22 130.26 42.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -128.31 136.16 50.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -88.63 154.55 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -135.08 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -107.38 -24.69 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -101.28 -24.18 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -131.22 171.69 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -79.33 158.48 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.93 136.98 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.59 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -144.84 148.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.9 m -69.88 102.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -94.04 152.04 40.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.78 40.92 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -71.31 142.19 50.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.73 159.62 84.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 114.86 3.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.304 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.43 111.15 22.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -104.64 110.85 23.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.65 -18.94 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p -175.03 157.63 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.8 mt -84.94 126.16 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.36 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.335 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -76.76 119.25 20.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.4 m0 60.39 72.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.97 -19.22 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.574 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.56 117.4 3.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.46 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.31 45.37 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -62.69 -23.65 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -144.33 19.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -142.58 71.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.16 -51.25 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.26 51.21 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.71 9.32 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.2 142.44 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.9 m -51.51 167.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.56 127.03 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 6.55 64.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -113.51 161.88 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' VAL . 15.1 pt-20 -153.28 132.25 12.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.56 131.53 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -130.34 136.11 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -91.05 135.74 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -115.13 165.93 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -103.47 -24.97 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -104.77 -8.46 18.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -146.95 159.5 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -67.46 158.46 31.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -57.09 137.58 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.574 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.5 m -145.39 148.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.9 m -70.86 102.23 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 23' ' ' GLU . 28.2 m -92.17 151.22 41.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -64.91 135.64 55.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.53 159.6 29.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.546 0.689 . . . . 0.0 111.163 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.2 59.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.364 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -116.97 117.99 31.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.978 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -108.84 114.1 27.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.22 88.88 2.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.61 153.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 14' ' ' ARG . 13.7 mt -81.32 119.22 75.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.78 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.75 2.3 . . . . 0.0 112.366 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -76.18 120.26 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 62.58 67.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -125.48 -18.69 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.606 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.97 124.52 5.42 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -133.84 39.7 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.56 -20.4 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -130.19 -39.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HB2' HD11 ' A' ' 5' ' ' ILE . 2.7 mtt85 -95.2 78.22 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.43 -51.06 15.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.35 59.07 2.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.8 16.33 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -78.4 143.23 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -53.32 160.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.04 126.48 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.27 10.38 60.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -120.52 161.17 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -153.24 133.91 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.16 129.74 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -123.47 144.57 49.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -102.37 109.07 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -104.33 145.01 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -35.34 26.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -83.56 -25.92 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -133.47 143.83 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -54.02 161.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -56.88 131.41 49.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.606 HG12 ' HA2' ' A' ' 10' ' ' GLY . 14.5 m -144.39 156.34 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.57 102.75 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -88.76 153.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -63.06 140.08 58.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.36 159.64 52.89 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.533 0.682 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.22 56.52 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.302 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -86.78 126.65 34.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.973 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -137.32 108.22 6.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -140.74 110.6 6.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 p -175.1 156.62 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.8 mt -83.82 126.84 69.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -77.23 116.03 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.9 m0 63.91 73.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -125.65 -19.78 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.906 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.02 111.61 3.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 p -121.92 46.46 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.911 0.386 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -62.98 -22.52 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -146.2 20.02 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -142.36 71.63 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -74.35 -51.16 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.19 51.7 3.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -140.49 9.26 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 m -78.25 141.94 38.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -51.45 161.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.86 125.37 19.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.66 3.07 61.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.9 mt -111.81 162.98 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' VAL . 7.9 pt-20 -153.33 131.39 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t -65.99 132.27 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -128.8 132.75 47.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.03 157.18 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -152.86 148.54 27.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -91.01 -35.96 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -73.95 -28.41 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 m -138.12 -174.05 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -89.52 157.29 18.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.99 137.55 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.551 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -145.5 149.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.6 m -71.92 102.42 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 23' ' ' GLU . 33.0 m -92.82 151.82 41.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 130.32 19.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -63.96 137.26 57.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.38 159.65 61.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 142.62 48.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.704 2.27 . . . . 0.0 112.321 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.01 115.34 25.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.136 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.784 0.326 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 9' ' ' LYS . 17.5 mt -84.71 126.6 68.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.19 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.53 119.23 20.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.67 73.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.5 tptp -126.02 -19.38 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.588 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.58 118.32 3.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -130.73 47.03 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.33 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -145.1 19.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -141.14 71.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -74.16 -51.2 16.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 49.98 3.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.21 8.53 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 m -77.86 142.08 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.7 m -51.57 163.91 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -57.02 124.87 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.89 8.36 59.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.84 163.49 15.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.321 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.9 pt-20 -153.44 131.55 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -67.61 131.27 45.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -130.53 133.73 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.14 142.84 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -125.7 155.88 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -95.21 -24.57 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -96.82 -25.47 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -136.13 163.25 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -67.49 159.39 29.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.73 138.01 55.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.588 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.0 m -145.3 148.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.2 m -70.2 102.2 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 23' ' ' GLU . 33.9 m -92.61 151.65 41.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.188 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.79 24.07 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.5 127.9 71.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.622 0.725 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -77.75 118.7 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.436 ' HE1' HG12 ' A' ' 35' ' ' VAL . 8.6 m0 61.05 73.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -124.67 -18.54 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.537 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 98.68 109.19 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.44 70.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.38 -12.8 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -139.79 11.44 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -149.79 70.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.74 -51.36 19.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.35 53.26 4.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -145.7 12.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 m -76.68 157.29 31.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 155.59 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -51.97 113.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.8 14.66 22.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.83 149.24 42.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.745 0.307 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -137.97 118.41 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -59.32 112.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -106.36 142.21 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -98.27 139.99 33.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -138.8 147.87 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -84.41 -26.62 28.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -87.4 -26.87 23.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -139.83 145.14 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -55.57 161.16 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.77 131.92 52.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.537 HG12 ' HA2' ' A' ' 10' ' ' GLY . 34.3 m -139.95 152.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -76.84 102.86 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.436 HG12 ' HE1' ' A' ' 8' ' ' TRP . 16.4 m -99.23 154.28 37.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.569 0.699 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.64 17.92 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.8 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.582 HD11 ' CB ' ' A' ' 14' ' ' ARG . 14.7 mt -81.48 120.57 78.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.614 2.209 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -74.25 118.57 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.2 m0 60.11 72.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.4 tptt -124.83 -18.82 5.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 105.59 108.64 3.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.78 42.53 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -60.24 -19.37 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -132.68 -40.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.582 ' CB ' HD11 ' A' ' 5' ' ' ILE . 8.4 mtt-85 -92.18 76.95 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.33 -51.23 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.2 58.28 2.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.99 16.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 m -78.23 141.73 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -51.82 159.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -51.94 127.18 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.75 10.11 61.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -119.44 162.93 18.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -153.18 133.5 13.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -68.23 112.99 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -104.62 148.48 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -95.52 160.73 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -155.82 134.23 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -80.41 -44.84 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -79.31 -27.25 42.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -116.72 -169.4 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -106.42 161.04 14.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.18 129.95 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.8 m -146.05 154.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.87 103.35 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.93 152.69 46.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.96 18.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.2 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.819 0.342 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.402 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.4 mt -81.11 129.16 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -77.2 116.02 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.521 ' CD1' HG12 ' A' ' 35' ' ' VAL . 6.3 m0 61.69 76.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -124.4 -18.88 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.516 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 101.29 103.6 2.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 p -121.18 64.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.25 -14.14 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -139.16 -41.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -83.79 70.34 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -74.08 -51.38 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.59 51.42 3.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -143.21 12.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 m -75.4 156.15 35.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.8 m -57.52 154.95 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -51.81 114.29 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.82 23.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 5' ' ' ILE . 35.6 mt -120.51 148.8 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.34 119.6 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.47 115.15 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -106.99 138.81 42.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -85.82 156.62 20.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -151.5 155.82 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -95.29 -61.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -62.58 -23.13 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 m -128.83 -175.84 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -99.16 160.76 14.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.25 134.04 56.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.516 HG12 ' HA2' ' A' ' 10' ' ' GLY . 33.8 m -141.18 150.4 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.1 m -75.57 102.64 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' CD1' ' A' ' 8' ' ' TRP . 16.0 m -99.23 154.26 37.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.49 17.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.907 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.809 0.338 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 14' ' ' ARG . 17.1 mt -87.43 120.34 71.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -170.73 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.748 2.299 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -76.39 119.5 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 62.83 68.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.1 tptt -125.28 -18.79 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.627 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.19 118.97 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -129.76 54.04 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.89 -22.58 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 p30 -129.54 3.33 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.41 ' HB2' HD11 ' A' ' 5' ' ' ILE . 22.6 mtt-85 -144.84 77.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.2 -50.76 17.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.13 56.67 3.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.32 13.92 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -76.92 143.21 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -53.36 160.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.19 126.24 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.73 10.23 60.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -119.67 162.68 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.21 132.61 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.9 t -67.39 128.56 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -130.07 142.04 50.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -89.4 121.25 31.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -101.59 146.93 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -88.42 -32.77 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -86.37 -25.08 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.8 p -137.71 170.76 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -69.11 161.19 29.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.66 131.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.627 HG12 ' HA2' ' A' ' 10' ' ' GLY . 22.2 m -141.83 155.26 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.2 m -75.27 102.74 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -87.74 153.55 52.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 130.23 19.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.4 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 14' ' ' ARG . 16.6 mt -82.77 120.32 76.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.654 0.74 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.238 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -76.6 119.49 20.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 63.29 67.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HB3' HG23 ' A' ' 5' ' ' ILE . 15.0 tptt -125.1 -18.97 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.629 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.13 119.82 4.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -130.76 39.64 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 m -60.33 -18.71 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -130.27 -39.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.474 ' HB2' HD11 ' A' ' 5' ' ' ILE . 12.4 mtt-85 -97.37 78.04 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -74.34 -51.01 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.47 58.66 3.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -147.06 16.0 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 m -78.45 142.48 37.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -52.24 161.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.7 126.7 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.18 9.43 62.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.4 mt -118.81 161.52 20.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.15 133.05 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 t -67.06 132.1 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -140.35 137.02 33.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -92.49 134.6 34.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -128.83 149.61 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -82.62 -25.66 32.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -80.17 -30.79 38.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -145.1 151.17 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -51.91 161.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.86 127.65 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.629 HG12 ' HA2' ' A' ' 10' ' ' GLY . 31.1 m -140.58 158.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -76.55 102.63 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.3 m -87.03 152.91 54.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.9 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.781 0.324 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.4 mt -79.67 128.05 75.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 111.191 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.248 . . . . 0.0 112.309 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -78.14 118.0 19.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.2 m0 61.89 73.32 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.45 -18.51 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.589 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 98.93 107.07 2.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -122.79 67.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.432 HG23 HD22 ' A' ' 13' ' ' ASN . 17.2 m -78.64 -11.29 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.432 HD22 HG23 ' A' ' 12' ' ' VAL . 14.3 m-80 -147.22 18.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -149.92 68.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -73.73 -51.34 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.15 48.28 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.38 9.79 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 m -75.3 156.82 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.8 m -58.74 154.83 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.39 114.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.5 14.89 22.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 5' ' ' ILE . 36.7 mt -120.88 148.35 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.12 119.69 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -58.83 115.49 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -113.22 150.96 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -102.43 149.7 24.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -150.02 147.5 27.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -83.97 -25.28 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -76.87 -34.05 57.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -146.11 159.25 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -56.8 161.24 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -60.4 133.11 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.589 HG12 ' HA2' ' A' ' 10' ' ' GLY . 17.4 m -137.41 155.5 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.6 m -76.1 102.89 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.4 m -97.55 154.14 38.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 129.81 18.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.813 0.34 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.55 HD11 ' CB ' ' A' ' 14' ' ' ARG . 14.5 mt -82.25 120.41 77.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.21 119.42 19.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.3 m0 60.69 70.35 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB3' HG23 ' A' ' 5' ' ' ILE . 5.5 tptp -125.05 -18.81 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.88 115.28 4.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.34 41.52 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 m -60.11 -19.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -131.76 -40.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.55 ' CB ' HD11 ' A' ' 5' ' ' ILE . 9.6 mtt-85 -93.19 77.09 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.28 -51.11 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.12 58.02 2.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.45 15.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 m -77.91 141.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.62 159.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -51.66 127.68 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.12 10.09 62.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -119.61 162.63 18.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -153.21 133.88 13.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.26 111.1 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -102.96 146.39 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -98.07 168.78 10.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -173.64 147.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -92.24 -24.24 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -87.22 -27.11 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -135.26 155.22 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -66.51 161.23 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.74 136.48 55.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.45 155.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.0 m -83.49 103.19 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.95 152.43 48.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.169 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.792 0.33 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 9' ' ' LYS . 21.2 mt -84.77 122.09 74.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -170.45 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -76.53 117.66 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.87 70.41 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.36 -20.21 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.566 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 105.33 116.23 4.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.63 44.24 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -61.73 -17.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -132.17 -40.59 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -93.89 76.43 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -73.62 -51.23 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.84 54.74 4.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -142.3 12.92 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -76.83 141.48 40.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.34 159.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -52.05 127.6 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.07 8.4 63.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -117.58 163.11 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.06 132.59 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.4 t -68.02 131.64 45.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -134.04 142.02 47.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -96.63 146.17 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -125.95 179.88 5.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -111.43 -36.11 5.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -83.51 -40.39 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -115.06 -172.38 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -93.2 161.25 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.6 130.28 44.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG12 ' HA2' ' A' ' 10' ' ' GLY . 33.9 m -141.07 154.16 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -74.36 102.7 4.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 m -88.55 153.72 50.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 134.56 28.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.902 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.795 0.331 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 9' ' ' LYS . 21.1 mt -83.68 121.1 76.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.52 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -76.54 118.08 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.96 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.5 m0 63.96 69.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.17 -19.84 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.607 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.63 115.43 4.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -126.3 54.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -79.67 -20.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -131.4 4.4 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -145.75 77.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -74.43 -51.24 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.4 56.83 3.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -144.41 13.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.28 142.32 39.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -52.82 160.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.68 127.13 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.78 9.99 62.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.14 162.66 18.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.21 133.37 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.9 122.34 17.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -122.71 148.15 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -99.3 137.54 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -130.87 147.97 52.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -87.67 -25.53 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -84.95 -25.02 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -145.08 158.43 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -60.01 161.27 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.76 131.73 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.607 HG12 ' HA2' ' A' ' 10' ' ' GLY . 21.4 m -142.2 156.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.5 m -76.72 102.8 6.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.79 153.46 52.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.97 18.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.828 0.346 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.416 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.2 mt -85.11 127.17 65.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.25 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -77.22 115.57 17.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 m0 63.91 73.69 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.0 tmtt? -125.68 -19.99 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.543 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.05 111.24 3.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -123.22 47.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -63.25 -24.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -143.97 18.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -141.19 70.46 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.28 -51.25 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.31 50.69 3.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.98 8.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 m -77.58 142.35 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -51.43 166.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -59.9 123.45 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.22 5.07 58.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 mt -113.35 163.6 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 35' ' ' VAL . 6.0 pt-20 -153.39 131.07 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 130.13 42.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -124.91 135.34 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -82.75 157.17 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -148.4 141.6 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -88.09 -39.91 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -78.66 -25.47 44.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.8 m -132.5 -171.77 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -95.62 158.9 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.08 136.71 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.543 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -145.95 145.79 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.1 m -68.91 102.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' GLU . 35.8 m -93.5 152.2 40.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 131.96 22.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.873 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.5 mt -83.51 129.49 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.707 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.37 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -78.72 114.05 17.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m0 66.24 77.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 -20.37 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.57 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 99.71 99.71 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 p -118.66 63.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.12 -11.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -138.46 -41.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -88.61 71.0 8.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -73.02 -51.45 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.95 53.66 4.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -145.27 12.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 m -76.97 156.27 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -58.73 155.46 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -51.61 115.69 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.51 13.9 27.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 5' ' ' ILE . 33.6 mt -120.24 147.03 45.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -58.91 112.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -106.33 137.05 44.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -88.5 162.5 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.43 155.24 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 tpt85 -91.59 -57.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -61.68 -25.44 67.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -126.62 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -104.78 159.85 15.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.13 128.87 39.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.57 HG12 ' HA2' ' A' ' 10' ' ' GLY . 27.1 m -140.84 153.46 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -77.94 102.9 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.22 154.12 37.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 129.71 17.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.29 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 9' ' ' LYS . 20.0 mt -84.76 126.19 69.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.29 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -76.58 119.46 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.85 72.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.3 tptp -126.04 -19.14 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.545 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.84 118.5 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -129.64 46.18 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.34 -23.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -145.06 20.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -142.52 71.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -74.08 -51.16 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.81 51.77 2.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -139.68 8.95 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -78.35 142.06 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -51.58 161.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -55.19 124.57 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.04 6.89 58.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.59 163.48 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.0 pt-20 -153.43 132.02 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.32 132.61 48.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -125.92 132.77 52.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -80.7 159.76 25.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -157.14 143.41 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -56.1 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -59.97 -34.07 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -124.21 -170.23 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -99.05 159.25 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.28 137.95 57.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' HA2' ' A' ' 10' ' ' GLY . 12.8 m -145.87 147.68 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.7 m -70.53 102.36 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.2 m -92.46 151.55 41.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 130.25 19.05 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.803 0.335 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 14' ' ' ARG . 18.4 mt -84.17 125.53 72.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -77.63 119.53 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.1 m0 61.68 70.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HB3' HG23 ' A' ' 5' ' ' ILE . 7.2 tptp -126.09 -19.24 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.646 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.33 120.55 4.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -129.71 37.04 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -62.14 -18.8 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.27 14.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.436 ' HB2' HD11 ' A' ' 5' ' ' ILE . 21.2 mtt85 -145.55 72.86 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -74.39 -51.3 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.87 53.48 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.58 11.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 m -78.41 142.45 37.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -51.52 163.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.73 124.15 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.18 6.08 59.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.06 162.91 16.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 35' ' ' VAL . 15.8 pt-20 -153.42 132.12 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.79 131.29 45.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -134.68 139.23 45.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -95.34 141.21 29.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 -138.57 150.31 46.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -84.44 -24.04 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -78.41 -31.07 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 t -148.25 156.71 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -55.49 161.13 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.26 133.66 55.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.646 HG12 ' HA2' ' A' ' 10' ' ' GLY . 17.4 m -143.56 151.6 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -70.32 102.26 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 23' ' ' GLU . 35.9 m -91.2 150.63 41.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.56 19.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.868 0.366 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.4 mt -85.42 126.64 66.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -170.3 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -76.33 119.02 19.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.1 m0 59.67 73.58 0.48 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HB3' HG23 ' A' ' 5' ' ' ILE . 9.1 tptt -126.14 -19.25 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.556 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.2 116.73 3.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -128.16 44.7 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 m -62.97 -20.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -147.97 19.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -142.61 71.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -74.25 -51.17 16.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.65 49.53 3.14 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -138.21 7.92 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 m -77.05 142.03 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.2 m -51.3 161.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.23 122.88 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.89 7.65 56.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -115.05 164.87 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 35' ' ' VAL . 12.9 pt-20 -153.55 128.16 9.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.02 131.91 47.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -126.37 134.54 51.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -77.87 168.39 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -164.01 139.83 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -84.48 -63.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -60.05 -35.8 75.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -114.01 -170.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -104.68 157.74 16.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.04 135.66 57.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.556 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.0 m -145.73 151.27 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.6 m -73.93 102.21 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 23' ' ' GLU . 30.4 m -93.24 151.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 131.77 21.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.891 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.843 0.354 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' A' ' 9' ' ' LYS . 19.1 mt -84.75 125.76 70.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.35 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -77.09 119.49 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.86 71.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 5' ' ' ILE . 7.2 tptp -126.05 -19.18 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.596 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.13 120.28 4.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.48 43.28 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.2 -18.45 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -147.06 17.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -142.73 72.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -74.11 -51.21 16.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.53 51.97 3.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -140.44 9.63 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.3 142.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -51.57 163.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -56.43 124.23 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.22 4.92 59.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.52 162.9 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 35' ' ' VAL . 13.6 pt-20 -153.47 132.59 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.35 134.23 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -136.31 136.17 39.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.73 150.96 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -155.2 151.13 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -79.92 -24.28 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -69.81 -43.98 70.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.9 p -142.27 161.7 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -57.63 161.0 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.93 135.72 56.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.596 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.8 m -145.06 149.99 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -70.8 102.24 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 23' ' ' GLU . 34.8 m -91.51 150.91 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.75 21.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.919 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.798 0.332 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 9' ' ' LYS . 17.6 mt -85.71 126.86 64.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -170.16 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -77.92 116.8 18.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.0 m0 63.99 72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -125.92 -19.84 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.527 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.7 114.52 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.498 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.87 40.45 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -49.67 -30.54 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -132.54 -35.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HB2' HD11 ' A' ' 5' ' ' ILE . 3.2 mtt85 -79.36 72.4 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -72.46 -51.22 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.67 57.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.64 10.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -78.52 142.73 37.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.39 163.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.27 125.66 22.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.88 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.24 163.58 13.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 35' ' ' VAL . 8.5 pt-20 -153.63 124.91 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 130.19 45.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -130.1 138.79 50.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -91.22 148.38 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -142.19 145.24 33.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -86.52 -25.92 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -81.97 -25.84 34.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -150.9 159.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -56.54 161.13 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -61.45 141.97 57.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.527 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.4 m -146.16 150.55 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -71.8 102.42 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.0 m -92.54 150.16 39.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.682 0.753 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.58 19.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.905 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -80.05 127.61 76.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -170.96 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -77.47 119.0 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.426 ' CD1' HG12 ' A' ' 35' ' ' VAL . 7.5 m0 60.44 73.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -124.8 -18.73 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.51 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 99.11 110.34 3.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -127.39 70.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.32 -13.48 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -139.19 11.24 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -149.3 70.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -72.93 -51.34 18.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.51 53.22 4.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.52 12.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.26 157.82 32.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -59.51 155.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.93 114.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.17 15.06 22.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.91 149.3 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -138.06 118.84 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.08 114.72 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -109.1 148.26 31.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.48 139.99 36.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -133.28 152.22 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -89.93 -27.32 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -86.82 -25.76 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -141.23 161.25 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 33' ' ' VAL . 19.4 p90 -65.61 160.91 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.65 132.78 54.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.51 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.6 m -138.17 156.15 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.9 m -77.87 102.86 7.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 8' ' ' TRP . 16.4 m -98.53 154.2 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.58 17.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.379 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' HB3' ' A' ' 9' ' ' LYS . 16.1 mt -86.82 119.91 71.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.69 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.13 119.45 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 62.62 68.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.3 tptp -125.28 -18.76 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.566 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.87 119.74 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -132.86 56.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.408 HG12 ' CD ' ' A' ' 32' ' ' GLU . 17.3 m -80.04 -20.51 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -132.64 5.55 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -145.51 76.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -74.02 -50.88 17.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.81 54.68 4.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -142.33 12.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -76.82 142.61 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.1 m -52.89 160.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.54 127.12 21.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.32 61.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -118.88 162.29 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -153.14 131.11 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.76 132.17 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -135.84 140.27 44.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 143.07 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -156.75 156.28 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -73.17 -24.85 60.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -58.53 -43.96 89.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -155.59 162.19 40.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -51.95 161.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.408 ' CD ' HG12 ' A' ' 12' ' ' VAL . 1.5 mp0 -56.99 130.04 44.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG12 ' HA2' ' A' ' 10' ' ' GLY . 22.3 m -142.8 151.11 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.9 m -72.78 102.73 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.17 153.32 51.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.24 18.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.936 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.829 0.347 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 9' ' ' LYS . 16.0 mt -86.61 128.27 57.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -169.63 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -76.75 114.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.04 75.22 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.0 tmtt? -125.5 -20.29 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 109.43 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -120.57 42.98 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.1 m -59.08 -26.83 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -143.19 20.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -142.22 69.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -72.33 -51.26 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.66 48.62 3.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.99 5.63 3.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 m -74.47 141.21 44.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -52.96 165.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.97 123.09 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.23 7.34 57.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -115.1 166.12 12.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -153.13 132.55 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -68.76 116.82 9.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -104.9 148.15 26.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -97.65 147.95 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.39 149.27 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -89.44 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -67.74 -23.42 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -114.62 -170.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -108.34 161.43 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.09 134.67 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 m -146.94 150.94 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.7 m -79.28 102.53 8.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -93.51 152.19 40.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 132.99 24.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.916 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.799 0.333 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.92 129.45 64.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.294 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.56 116.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.435 ' HE1' HG12 ' A' ' 35' ' ' VAL . 7.8 m0 63.71 74.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -124.81 -19.36 5.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 100.11 106.05 2.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.99 68.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -82.23 -12.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -141.97 12.78 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -149.74 69.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -72.64 -51.46 19.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.25 52.93 4.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -145.11 11.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.78 158.23 31.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.0 m -59.9 155.88 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -52.04 114.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.72 14.4 23.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.72 148.12 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.24 119.74 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.4 113.52 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -107.9 148.38 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -100.23 145.73 27.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -143.1 146.35 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -84.26 -26.99 28.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -87.65 -28.19 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -137.27 152.65 50.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.522 ' O ' HG13 ' A' ' 33' ' ' VAL . 17.3 p90 -62.48 160.67 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.91 130.89 47.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 31' ' ' PHE . 17.3 m -138.91 153.92 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.22 102.93 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 8' ' ' TRP . 17.2 m -99.18 154.14 37.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 129.66 17.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.898 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 9' ' ' LYS . 15.8 mt -85.75 126.45 66.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -170.24 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -76.82 115.49 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.0 m0 63.8 73.64 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' HG23 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -125.64 -19.89 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.59 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.13 112.97 3.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.44 46.52 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.93 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -143.67 18.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -141.29 70.75 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.7 -51.14 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.61 50.71 3.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.15 9.31 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 m -77.22 143.34 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -51.72 164.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -58.87 121.44 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 8.21 54.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.0 mt -116.53 164.36 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -153.37 132.77 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -68.22 130.26 42.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -128.31 136.16 50.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -88.63 154.55 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -135.08 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -107.38 -24.69 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -101.28 -24.18 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -131.22 171.69 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -79.33 158.48 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.93 136.98 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.59 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -144.84 148.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.9 m -69.88 102.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -94.04 152.04 40.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.78 40.92 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.877 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.828 0.347 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.8 mt -84.94 126.16 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.36 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.335 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -76.76 119.25 20.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.4 m0 60.39 72.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.97 -19.22 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.574 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.56 117.4 3.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.46 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.31 45.37 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -62.69 -23.65 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -144.33 19.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -142.58 71.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.16 -51.25 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.26 51.21 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.71 9.32 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.2 142.44 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.9 m -51.51 167.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.56 127.03 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 6.55 64.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -113.51 161.88 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' VAL . 15.1 pt-20 -153.28 132.25 12.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.56 131.53 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -130.34 136.11 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -91.05 135.74 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -115.13 165.93 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -103.47 -24.97 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -104.77 -8.46 18.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -146.95 159.5 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -67.46 158.46 31.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -57.09 137.58 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.574 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.5 m -145.39 148.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.9 m -70.86 102.23 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 23' ' ' GLU . 28.2 m -92.17 151.22 41.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.966 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.771 0.32 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 14' ' ' ARG . 13.7 mt -81.32 119.22 75.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.78 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.75 2.3 . . . . 0.0 112.366 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -76.18 120.26 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 62.58 67.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -125.48 -18.69 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.606 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.97 124.52 5.42 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -133.84 39.7 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.56 -20.4 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -130.19 -39.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HB2' HD11 ' A' ' 5' ' ' ILE . 2.7 mtt85 -95.2 78.22 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.43 -51.06 15.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.35 59.07 2.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.8 16.33 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -78.4 143.23 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -53.32 160.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.04 126.48 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.27 10.38 60.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -120.52 161.17 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -153.24 133.91 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.16 129.74 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -123.47 144.57 49.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -102.37 109.07 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -104.33 145.01 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -35.34 26.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -83.56 -25.92 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -133.47 143.83 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -54.02 161.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -56.88 131.41 49.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.606 HG12 ' HA2' ' A' ' 10' ' ' GLY . 14.5 m -144.39 156.34 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.57 102.75 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -88.76 153.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.873 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.828 0.347 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.8 mt -83.82 126.84 69.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -77.23 116.03 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.9 m0 63.91 73.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -125.65 -19.78 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.906 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.551 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.02 111.61 3.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 p -121.92 46.46 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.911 0.386 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -62.98 -22.52 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -146.2 20.02 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -142.36 71.63 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -74.35 -51.16 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.19 51.7 3.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -140.49 9.26 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 m -78.25 141.94 38.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -51.45 161.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.86 125.37 19.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.66 3.07 61.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.9 mt -111.81 162.98 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' VAL . 7.9 pt-20 -153.33 131.39 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t -65.99 132.27 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -128.8 132.75 47.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.03 157.18 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -152.86 148.54 27.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -91.01 -35.96 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -73.95 -28.41 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 m -138.12 -174.05 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -89.52 157.29 18.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.99 137.55 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.551 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -145.5 149.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.6 m -71.92 102.42 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 23' ' ' GLU . 33.0 m -92.82 151.82 41.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 130.32 19.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.839 0.352 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -111.24 157.27 20.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.68 85.54 2.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.3 p -175.06 157.93 2.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 9' ' ' LYS . 17.5 mt -84.71 126.6 68.13 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -170.19 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.689 2.259 . . . . 0.0 112.299 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.53 119.23 20.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.67 73.07 0.5 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.982 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.5 tptp -126.02 -19.38 4.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.588 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.58 118.32 3.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.504 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -130.73 47.03 2.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.829 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 m -63.33 -23.34 33.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -145.1 19.23 1.59 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -141.14 71.17 1.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -74.16 -51.2 16.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.2 49.98 3.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -138.21 8.53 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.847 0.356 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.7 m -77.86 142.08 38.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.7 m -51.57 163.91 0.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -57.02 124.87 20.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.89 8.36 59.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.84 163.49 15.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.773 0.321 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.9 pt-20 -153.44 131.55 11.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.0 t -67.61 131.27 45.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -130.53 133.73 46.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -87.14 142.84 27.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -125.7 155.88 40.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -95.21 -24.57 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 21.9 mmm-85 -96.82 -25.47 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.7 p -136.13 163.25 30.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -67.49 159.39 29.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -57.73 138.01 55.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.588 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.0 m -145.3 148.33 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.2 m -70.2 102.2 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 23' ' ' GLU . 33.9 m -92.61 151.65 41.29 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.595 0.712 . . . . 0.0 111.188 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 132.79 24.07 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.242 . . . . 0.0 112.368 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -66.14 137.17 56.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.17 159.68 56.25 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 170.42 16.68 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.69 2.26 . . . . 0.0 112.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.9 mmtt -108.4 111.51 23.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.0 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.893 0.378 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -88.58 164.76 15.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -120.56 95.79 4.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.811 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -174.99 161.19 2.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.5 127.9 71.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.622 0.725 . . . . 0.0 111.167 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.94 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.395 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -77.75 118.7 20.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.436 ' HE1' HG12 ' A' ' 35' ' ' VAL . 8.6 m0 61.05 73.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -124.67 -18.54 5.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.537 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 98.68 109.19 2.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.1 p -126.44 70.91 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.38 -12.8 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.156 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -139.79 11.44 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -149.79 70.07 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -72.74 -51.36 19.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.35 53.26 4.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.437 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -145.7 12.66 1.31 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.3 m -76.68 157.29 31.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -58.71 155.59 12.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -51.97 113.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.8 14.66 22.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.2 mt -120.83 149.24 42.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.745 0.307 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -137.97 118.41 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.9 t -59.32 112.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -106.36 142.21 36.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -98.27 139.99 33.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -138.8 147.87 43.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -84.41 -26.62 28.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -87.4 -26.87 23.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 75.4 m -139.83 145.14 37.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -55.57 161.16 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -58.77 131.92 52.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.537 HG12 ' HA2' ' A' ' 10' ' ' GLY . 34.3 m -139.95 152.76 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.8 m -76.84 102.86 6.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG12 ' HE1' ' A' ' 8' ' ' TRP . 16.4 m -99.23 154.28 37.38 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.569 0.699 . . . . 0.0 111.113 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 129.64 17.92 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.671 2.247 . . . . 0.0 112.323 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -52.2 144.21 12.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.61 159.65 82.85 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 118.19 5.53 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.68 2.253 . . . . 0.0 112.345 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.2 tppt? -95.44 110.75 22.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.1 m . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.83 0.348 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -141.23 119.17 11.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -109.9 -11.82 14.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p -174.62 153.71 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.582 HD11 ' CB ' ' A' ' 14' ' ' ARG . 14.7 mt -81.48 120.57 78.45 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.606 0.717 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -170.86 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.614 2.209 . . . . 0.0 112.328 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -74.25 118.57 17.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.2 m0 60.11 72.18 0.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.4 tptt -124.83 -18.82 5.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 105.59 108.64 3.33 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -119.78 42.53 2.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -60.24 -19.37 18.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -132.68 -40.44 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.582 ' CB ' HD11 ' A' ' 5' ' ' ILE . 8.4 mtt-85 -92.18 76.95 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.33 -51.23 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.805 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.2 58.28 2.76 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.99 16.17 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.853 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.5 m -78.23 141.73 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.4 m -51.82 159.56 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 tp10 -51.94 127.18 20.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.834 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.75 10.11 61.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.1 mt -119.44 162.93 18.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.804 0.335 . . . . 0.0 110.906 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -153.18 133.5 13.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.0 t -68.23 112.99 5.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 66.6 t-105 -104.62 148.48 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -95.52 160.73 14.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -155.82 134.23 11.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.8 tpt85 -80.41 -44.84 18.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -79.31 -27.25 42.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -116.72 -169.4 1.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.4 p90 -106.42 161.04 14.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.832 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -58.18 129.95 44.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.8 m -146.05 154.96 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.114 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.7 m -81.87 103.35 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.2 m -89.93 152.69 46.73 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 129.96 18.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.69 2.26 . . . . 0.0 112.316 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.5 mtpt -63.15 143.23 57.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.04 159.64 40.25 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 129.11 17.05 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.334 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -66.85 131.3 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.2 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.783 0.325 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -95.24 77.01 3.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -100.72 85.68 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.2 p -173.76 161.41 3.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.402 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.4 mt -81.11 129.16 68.28 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.587 0.708 . . . . 0.0 111.175 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -171.03 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.399 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -77.2 116.02 17.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.521 ' CD1' HG12 ' A' ' 35' ' ' VAL . 6.3 m0 61.69 76.06 0.38 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -124.4 -18.88 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.516 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 101.29 103.6 2.67 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.4 p -121.18 64.93 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.852 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.2 m -67.25 -14.14 17.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.157 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -139.16 -41.89 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -83.79 70.34 10.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.4 m80 -74.08 -51.38 15.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.59 51.42 3.3 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -143.21 12.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.337 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.0 m -75.4 156.15 35.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 77.8 m -57.52 154.95 10.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -51.81 114.29 1.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.21 13.82 23.93 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.402 HD12 ' O ' ' A' ' 5' ' ' ILE . 35.6 mt -120.51 148.8 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.783 0.325 . . . . 0.0 110.88 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.34 119.6 15.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.5 t -59.47 115.15 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.2 t-105 -106.99 138.81 42.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.8 pttm -85.82 156.62 20.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 30.3 mtt85 -151.5 155.82 39.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -95.29 -61.42 1.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -62.58 -23.13 66.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.1 m -128.83 -175.84 3.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -99.16 160.76 14.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -59.25 134.04 56.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.516 HG12 ' HA2' ' A' ' 10' ' ' GLY . 33.8 m -141.18 150.4 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.1 m -75.57 102.64 5.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.521 HG12 ' CD1' ' A' ' 8' ' ' TRP . 16.0 m -99.23 154.26 37.39 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.646 0.736 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 129.49 17.72 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.672 2.248 . . . . 0.0 112.369 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -52.06 145.86 9.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.24 159.59 72.0 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 111.12 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 95.41 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.662 2.241 . . . . 0.0 112.334 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.0 mmtm -111.78 113.59 26.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.142 179.942 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.858 0.361 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 78.0 mt-10 -116.86 34.91 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -81.05 81.88 7.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.2 p -174.55 159.87 3.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.41 HD11 ' HB2' ' A' ' 14' ' ' ARG . 17.1 mt -87.43 120.34 71.14 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.101 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -170.73 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.748 2.299 . . . . 0.0 112.328 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -76.39 119.5 20.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 62.83 68.55 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.1 tptt -125.28 -18.79 5.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.627 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.19 118.97 4.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.489 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.0 p -129.76 54.04 1.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.932 0.396 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.0 m -78.89 -22.58 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.8 p30 -129.54 3.33 5.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.41 ' HB2' HD11 ' A' ' 5' ' ' ILE . 22.6 mtt-85 -144.84 77.22 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -74.2 -50.76 17.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.13 56.67 3.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -144.32 13.92 1.61 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 0.0 110.878 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -76.92 143.21 39.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 55.6 m -53.36 160.03 1.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -52.19 126.24 18.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.73 10.23 60.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.2 mt -119.67 162.68 18.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.316 . . . . 0.0 110.933 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -153.21 132.61 12.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 43.9 t -67.39 128.56 36.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 63.5 t-105 -130.07 142.04 50.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -89.4 121.25 31.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -101.59 146.93 27.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -88.42 -32.77 18.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -86.37 -25.08 25.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.8 p -137.71 170.76 15.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.7 p90 -69.11 161.19 29.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -56.66 131.88 50.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.627 HG12 ' HA2' ' A' ' 10' ' ' GLY . 22.2 m -141.83 155.26 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 59.2 m -75.27 102.74 5.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -87.74 153.55 52.63 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 121.595 0.712 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.7 130.23 19.05 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.703 2.269 . . . . 0.0 112.369 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -63.03 142.19 58.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.1 159.57 63.95 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.574 0.702 . . . . 0.0 111.113 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 102.09 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.629 2.219 . . . . 0.0 112.336 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -94.72 109.09 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.183 179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -70.74 101.3 2.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -106.75 65.54 0.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.4 p -174.49 154.15 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.474 HD11 ' HB2' ' A' ' 14' ' ' ARG . 16.6 mt -82.77 120.32 76.16 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.654 0.74 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.75 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.656 2.238 . . . . 0.0 112.328 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -76.6 119.49 20.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.2 m0 63.29 67.98 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' HB3' HG23 ' A' ' 5' ' ' ILE . 15.0 tptt -125.1 -18.97 5.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.629 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.13 119.82 4.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.475 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.9 p -130.76 39.64 3.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 m -60.33 -18.71 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.143 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -130.27 -39.02 1.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.474 ' HB2' HD11 ' A' ' 5' ' ' ILE . 12.4 mtt-85 -97.37 78.04 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -74.34 -51.01 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.47 58.66 3.03 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.457 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -147.06 16.0 1.19 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.9 m -78.45 142.48 37.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.6 m -52.24 161.88 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -53.7 126.7 22.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.18 9.43 62.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 56.4 mt -118.81 161.52 20.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -153.15 133.05 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 t -67.06 132.1 47.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 18.8 t-105 -140.35 137.02 33.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -92.49 134.6 34.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.1 mtm180 -128.83 149.61 50.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -82.62 -25.66 32.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -80.17 -30.79 38.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 m -145.1 151.17 38.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -51.91 161.08 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -56.86 127.65 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.629 HG12 ' HA2' ' A' ' 10' ' ' GLY . 31.1 m -140.58 158.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.109 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.4 m -76.55 102.63 6.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.3 m -87.03 152.91 54.01 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.63 0.729 . . . . 0.0 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 129.9 18.44 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.675 2.25 . . . . 0.0 112.388 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -62.15 140.75 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -97.42 159.65 30.67 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.58 0.705 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 82.76 0.74 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.335 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -116.25 109.56 17.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 -179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 97.0 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -148.91 135.85 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -111.0 41.99 1.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -174.81 161.19 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.4 mt -79.67 128.05 75.92 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 111.191 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.91 0.42 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.248 . . . . 0.0 112.309 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -78.14 118.0 19.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 8.2 m0 61.89 73.32 0.48 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.45 -18.51 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.589 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 98.93 107.07 2.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.458 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 p -122.79 67.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.432 HG23 HD22 ' A' ' 13' ' ' ASN . 17.2 m -78.64 -11.29 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.147 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.432 HD22 HG23 ' A' ' 12' ' ' VAL . 14.3 m-80 -147.22 18.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 -149.92 68.38 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -73.73 -51.34 16.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.15 48.28 3.61 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -141.38 9.79 2.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.366 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.5 m -75.3 156.82 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.8 m -58.74 154.83 13.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -51.39 114.17 1.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.5 14.89 22.63 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 5' ' ' ILE . 36.7 mt -120.88 148.35 44.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -137.12 119.69 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -58.83 115.49 3.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.911 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -113.22 150.96 31.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 pttt -102.43 149.7 24.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -150.02 147.5 27.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -83.97 -25.28 30.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.5 mmt-85 -76.87 -34.05 57.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.4 t -146.11 159.25 43.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 18.6 p90 -56.8 161.24 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -60.4 133.11 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.589 HG12 ' HA2' ' A' ' 10' ' ' GLY . 17.4 m -137.41 155.5 31.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.119 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 84.6 m -76.1 102.89 5.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.4 m -97.55 154.14 38.07 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.61 0.719 . . . . 0.0 111.126 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.84 129.81 18.16 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.68 2.254 . . . . 0.0 112.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -52.33 145.23 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.57 159.68 37.66 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.73 . . . . 0.0 111.13 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 83.83 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.654 2.236 . . . . 0.0 112.347 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -101.24 112.08 24.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 179.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.856 0.36 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -130.32 104.03 7.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -84.36 80.95 9.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.7 p -174.49 154.06 2.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.55 HD11 ' CB ' ' A' ' 14' ' ' ARG . 14.5 mt -82.25 120.41 77.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 111.133 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -170.53 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.657 2.238 . . . . 0.0 112.306 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -75.21 119.42 19.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.3 m0 60.69 70.35 0.62 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.418 ' HB3' HG23 ' A' ' 5' ' ' ILE . 5.5 tptp -125.05 -18.81 5.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.88 115.28 4.03 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.3 p -126.34 41.52 3.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 110.896 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 m -60.11 -19.74 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.095 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -131.76 -40.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.55 ' CB ' HD11 ' A' ' 5' ' ' ILE . 9.6 mtt-85 -93.19 77.09 4.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -74.28 -51.11 16.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.12 58.02 2.8 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -146.45 15.9 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.828 0.347 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.9 m -77.91 141.48 39.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.62 159.55 0.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -51.66 127.68 21.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.12 10.09 62.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.5 mt -119.61 162.63 18.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.342 . . . . 0.0 110.907 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -153.21 133.88 13.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.26 111.1 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -102.96 146.39 28.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -98.07 168.78 10.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.2 tpp180 -173.64 147.31 1.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -92.24 -24.24 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -87.22 -27.11 23.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -135.26 155.22 51.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -66.51 161.23 23.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.74 136.48 55.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.3 m -149.45 155.49 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 64.0 m -83.49 103.19 12.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.95 152.43 48.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.592 0.71 . . . . 0.0 111.169 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 129.83 18.36 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.694 2.262 . . . . 0.0 112.362 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -62.28 145.99 52.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.11 159.64 58.39 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.621 0.724 . . . . 0.0 111.17 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 172.91 11.8 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.715 2.276 . . . . 0.0 112.302 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -87.6 120.59 29.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.832 0.348 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.5 mp0 -108.97 108.73 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -120.7 -1.27 10.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.1 p -174.48 154.8 2.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 9' ' ' LYS . 21.2 mt -84.77 122.09 74.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.622 0.725 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -170.45 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.698 2.265 . . . . 0.0 112.326 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.5 ttpt -76.53 117.66 18.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.87 70.41 0.51 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.898 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.36 -20.21 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.566 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 105.33 116.23 4.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.48 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 22.0 p -130.63 44.24 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -61.73 -17.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -132.17 -40.59 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -93.89 76.43 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -73.62 -51.23 17.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.84 54.74 4.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -142.3 12.92 1.98 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.859 0.361 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.4 m -76.83 141.48 40.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.1 m -52.34 159.66 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -52.05 127.6 21.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.07 8.4 63.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.513 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -117.58 163.11 16.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.756 0.313 . . . . 0.0 110.917 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -153.06 132.59 12.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 38.4 t -68.02 131.64 45.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 52.0 t-105 -134.04 142.02 47.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -96.63 146.17 25.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -125.95 179.88 5.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -111.43 -36.11 5.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.4 tpp180 -83.51 -40.39 19.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.9 p -115.06 -172.38 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -93.2 161.25 14.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.869 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -56.6 130.28 44.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG12 ' HA2' ' A' ' 10' ' ' GLY . 33.9 m -141.07 154.16 20.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -74.36 102.7 4.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.1 m -88.55 153.72 50.57 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.621 0.724 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 134.56 28.26 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.662 2.241 . . . . 0.0 112.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -67.21 141.13 57.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.61 159.63 45.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.71 . . . . 0.0 111.132 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 108.31 2.05 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.739 2.293 . . . . 0.0 112.37 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -75.58 132.43 40.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 -179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.4 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -98.63 176.41 5.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -93.82 -8.68 39.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.3 p -174.56 153.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 9' ' ' LYS . 21.1 mt -83.68 121.1 76.15 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.669 0.747 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -170.52 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -76.54 118.08 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.96 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.5 m0 63.96 69.62 0.53 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.17 -19.84 5.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.607 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.63 115.43 4.08 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.1 p -126.3 54.34 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.861 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.8 m -79.67 -20.93 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -131.4 4.4 4.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -145.75 77.82 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -74.43 -51.24 15.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -89.4 56.83 3.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -144.41 13.47 1.58 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.3 m -77.28 142.32 39.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.5 m -52.82 160.74 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -52.68 127.13 22.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.78 9.99 62.04 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.4 mt -119.14 162.66 18.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -153.21 133.37 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.9 122.34 17.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.8 t-105 -122.71 148.15 45.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -99.3 137.54 37.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -130.87 147.97 52.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -87.67 -25.53 23.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.825 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -84.95 -25.02 28.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.1 m -145.08 158.43 43.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 21.8 p90 -60.01 161.27 6.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -56.76 131.73 50.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.607 HG12 ' HA2' ' A' ' 10' ' ' GLY . 21.4 m -142.2 156.38 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 61.5 m -76.72 102.8 6.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.0 m -87.79 153.46 52.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.605 0.717 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 129.97 18.5 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.5 mtpt -62.45 141.89 58.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.65 159.61 43.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 111.175 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 137.02 34.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.708 2.272 . . . . 0.0 112.31 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -84.04 138.15 33.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.167 179.94 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.8 t . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -73.0 114.12 10.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -100.11 -44.92 5.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.4 p -175.13 158.66 2.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.416 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.2 mt -85.11 127.17 65.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.608 0.718 . . . . 0.0 111.153 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -170.25 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttpm? -77.22 115.57 17.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.5 m0 63.91 73.69 0.43 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.0 tmtt? -125.68 -19.99 4.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.543 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.05 111.24 3.34 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -123.22 47.64 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.855 0.359 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -63.25 -24.38 35.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -143.97 18.99 1.79 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.6 mtt85 -141.19 70.46 1.35 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.28 -51.25 18.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.829 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.31 50.69 3.33 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -138.98 8.67 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.841 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.9 m -77.58 142.35 39.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 75.5 m -51.43 166.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.4 tp10 -59.9 123.45 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.22 5.07 58.29 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.9 mt -113.35 163.6 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' O ' HG22 ' A' ' 35' ' ' VAL . 6.0 pt-20 -153.39 131.07 11.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 48.5 t -65.48 130.13 42.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -124.91 135.34 52.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 tttm -82.75 157.17 23.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -148.4 141.6 25.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -88.09 -39.91 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.0 mmm-85 -78.66 -25.47 44.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 38.8 m -132.5 -171.77 2.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.4 p90 -95.62 158.9 15.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -57.08 136.71 56.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.543 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -145.95 145.79 19.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.1 m -68.91 102.34 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 23' ' ' GLU . 35.8 m -93.5 152.2 40.76 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.621 0.724 . . . . 0.0 111.134 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 131.96 22.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.327 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtpt -65.51 139.17 58.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.98 159.6 71.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.524 0.678 . . . . 0.0 111.186 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -174.9 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.667 2.245 . . . . 0.0 112.354 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? -116.63 118.48 32.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.3 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.871 0.367 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.44 72.09 8.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -126.01 84.18 2.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.1 p -172.95 161.63 4.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 22' ' ' LEU . 2.5 mt -83.51 129.49 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.586 0.707 . . . . 0.0 111.128 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -169.37 0.33 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.709 2.273 . . . . 0.0 112.347 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.5 ttpm? -78.72 114.05 17.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 5.7 m0 66.24 77.22 0.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.39 -20.37 4.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.57 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 99.71 99.71 2.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.46 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.6 p -118.66 63.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 m -69.12 -11.56 14.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -138.46 -41.91 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -88.61 71.0 8.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -73.02 -51.45 18.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.95 53.66 4.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.524 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -145.27 12.82 1.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.824 0.345 . . . . 0.0 110.858 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 10.8 m -76.97 156.27 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 91.1 m -58.73 155.46 12.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -51.61 115.69 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.51 13.9 27.03 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.483 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 5' ' ' ILE . 33.6 mt -120.24 147.03 45.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.782 0.325 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -135.75 118.72 16.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.4 t -58.91 112.8 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.9 t-105 -106.33 137.05 44.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.3 ptmm? -88.5 162.5 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.8 tpm_? -161.43 155.24 21.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 47.5 tpt85 -91.59 -57.82 2.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -61.68 -25.44 67.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.861 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -126.62 -173.09 2.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -104.78 159.85 15.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.13 128.87 39.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.57 HG12 ' HA2' ' A' ' 10' ' ' GLY . 27.1 m -140.84 153.46 20.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 91.9 m -77.94 102.9 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.6 m -99.22 154.12 37.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.633 0.73 . . . . 0.0 111.118 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 129.71 17.98 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.29 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -53.03 145.2 13.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.31 159.63 11.17 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.573 0.701 . . . . 0.0 111.162 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 84.36 0.66 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.674 2.249 . . . . 0.0 112.347 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -117.03 123.19 46.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -138.44 126.93 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -121.04 21.52 11.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -174.9 156.84 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.407 HG23 ' HB3' ' A' ' 9' ' ' LYS . 20.0 mt -84.76 126.19 69.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.628 0.728 . . . . 0.0 111.139 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -170.29 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.9 ttpt -76.58 119.46 20.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 9.9 m0 59.85 72.71 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.3 tptp -126.04 -19.14 4.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.545 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.84 118.5 4.01 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 p -129.64 46.18 2.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 m -63.34 -23.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -145.06 20.1 1.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.4 mtt85 -142.52 71.82 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -74.08 -51.16 16.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.81 51.77 2.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.458 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -139.68 8.95 2.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.895 0.378 . . . . 0.0 110.88 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -78.35 142.06 37.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.3 m -51.58 161.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -55.19 124.57 17.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.04 6.89 58.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.504 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.1 mt -115.59 163.48 15.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.797 0.332 . . . . 0.0 110.924 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' O ' HG22 ' A' ' 35' ' ' VAL . 14.0 pt-20 -153.43 132.02 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.32 132.61 48.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -125.92 132.77 52.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.1 mptt -80.7 159.76 25.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -157.14 143.41 17.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -56.1 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 16.3 mmm180 -59.97 -34.07 72.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.2 m -124.21 -170.23 2.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -99.05 159.25 15.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -59.28 137.95 57.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.545 HG12 ' HA2' ' A' ' 10' ' ' GLY . 12.8 m -145.87 147.68 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.18 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.7 m -70.53 102.36 2.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.2 m -92.46 151.55 41.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 130.25 19.05 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.3 143.19 58.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.67 159.6 54.95 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.613 0.72 . . . . 0.0 111.104 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 142.0 46.84 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.389 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -105.61 111.51 24.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 p . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.2 t . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.842 0.353 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -115.76 40.39 2.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -85.24 -44.49 12.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.9 p -174.92 156.75 2.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 14' ' ' ARG . 18.4 mt -84.17 125.53 72.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.61 0.719 . . . . 0.0 111.143 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -170.17 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -77.63 119.53 21.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.1 m0 61.68 70.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HB3' HG23 ' A' ' 5' ' ' ILE . 7.2 tptp -126.09 -19.24 4.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.646 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.33 120.55 4.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.463 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.9 p -129.71 37.04 4.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.0 m -62.14 -18.8 20.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -143.27 14.09 1.82 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.436 ' HB2' HD11 ' A' ' 5' ' ' ILE . 21.2 mtt85 -145.55 72.86 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -74.39 -51.3 15.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.87 53.48 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.513 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -142.58 11.63 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.3 m -78.41 142.45 37.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.7 m -51.52 163.65 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.1 tp10 -56.73 124.15 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.18 6.08 59.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -115.06 162.91 16.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.821 0.343 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 35' ' ' VAL . 15.8 pt-20 -153.42 132.12 12.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.913 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.0 t -66.79 131.29 45.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -134.68 139.23 45.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.1 tttm -95.34 141.21 29.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.6 tpt85 -138.57 150.31 46.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -84.44 -24.04 29.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -78.41 -31.07 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.8 t -148.25 156.71 42.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -55.49 161.13 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.26 133.66 55.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.646 HG12 ' HA2' ' A' ' 10' ' ' GLY . 17.4 m -143.56 151.6 16.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 51.2 m -70.32 102.26 2.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 23' ' ' GLU . 35.9 m -91.2 150.63 41.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.654 0.74 . . . . 0.0 111.158 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 130.56 19.46 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.692 2.261 . . . . 0.0 112.331 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -63.85 135.82 56.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.15 159.68 28.85 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.638 0.732 . . . . 0.0 111.101 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 110.0 2.46 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.323 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -95.73 110.0 22.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 81.5 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.776 0.322 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -146.18 137.24 24.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -78.38 -40.43 36.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.1 p -175.18 159.52 2.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.4 mt -85.42 126.64 66.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.57 0.7 . . . . 0.0 111.134 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -170.3 0.38 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.665 2.243 . . . . 0.0 112.392 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -76.33 119.02 19.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.1 m0 59.67 73.58 0.48 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HB3' HG23 ' A' ' 5' ' ' ILE . 9.1 tptt -126.14 -19.25 4.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.556 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.2 116.73 3.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -128.16 44.7 2.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.907 0.384 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.5 m -62.97 -20.01 24.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -147.97 19.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.7 mtt-85 -142.61 71.29 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -74.25 -51.17 16.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.65 49.53 3.14 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.451 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -138.21 7.92 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.0 m -77.05 142.03 40.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.2 m -51.3 161.74 0.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.23 122.88 12.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.89 7.65 56.27 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.458 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 mt -115.05 164.87 13.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' O ' HG22 ' A' ' 35' ' ' VAL . 12.9 pt-20 -153.55 128.16 9.36 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 51.2 t -65.02 131.91 47.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.7 t-105 -126.37 134.54 51.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -77.87 168.39 19.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -164.01 139.83 6.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -84.48 -63.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -60.05 -35.8 75.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.8 t -114.01 -170.29 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -104.68 157.74 16.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.04 135.66 57.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.556 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.0 m -145.73 151.27 14.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 57.6 m -73.93 102.21 4.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 23' ' ' GLU . 30.4 m -93.24 151.47 40.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.573 0.701 . . . . 0.0 111.148 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 131.77 21.89 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.297 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp -65.7 138.61 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.929 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.53 159.58 29.28 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.561 0.696 . . . . 0.0 111.13 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 123.35 10.02 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -112.74 117.13 31.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.816 0.341 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -88.03 67.53 8.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -118.35 -52.27 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.5 p -174.92 157.47 2.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.411 HG23 ' HB3' ' A' ' 9' ' ' LYS . 19.1 mt -84.75 125.76 70.23 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.656 0.741 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 -170.35 0.38 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 32.8 ttpt -77.09 119.49 20.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.924 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 60.86 71.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.411 ' HB3' HG23 ' A' ' 5' ' ' ILE . 7.2 tptp -126.05 -19.18 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.596 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.13 120.28 4.17 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.48 43.28 3.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.873 0.368 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.7 m -64.2 -18.45 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -147.06 17.2 1.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.7 mtt-85 -142.73 72.0 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -74.11 -51.21 16.38 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.53 51.97 3.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -140.44 9.63 2.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.1 m -78.3 142.69 37.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -51.57 163.09 0.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -56.43 124.23 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.22 4.92 59.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.494 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 mt -113.52 162.9 15.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.761 0.315 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 35' ' ' VAL . 13.6 pt-20 -153.47 132.59 12.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.1 t -67.35 134.23 51.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -136.31 136.17 39.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ptmm? -97.73 150.96 20.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.938 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.4 tpm_? -155.2 151.13 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 65.6 ttt180 -79.92 -24.28 41.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.879 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -69.81 -43.98 70.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 89.9 p -142.27 161.7 37.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 20.8 p90 -57.63 161.0 3.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.93 135.72 56.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.596 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.8 m -145.06 149.99 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 52.8 m -70.8 102.24 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 23' ' ' GLU . 34.8 m -91.51 150.91 42.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.75 21.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.655 2.237 . . . . 0.0 112.371 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 62.4 mtpt -65.05 135.63 55.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.45 159.67 43.72 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.535 0.683 . . . . 0.0 111.155 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 111.75 2.89 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.378 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.99 109.21 20.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.871 0.367 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -103.0 42.07 1.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -62.33 -27.14 68.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.3 p -175.1 159.34 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.41 HG23 ' HB3' ' A' ' 9' ' ' LYS . 17.6 mt -85.71 126.86 64.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 111.148 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -170.16 0.38 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.732 2.288 . . . . 0.0 112.302 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.0 ttpt -77.92 116.8 18.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.0 m0 63.99 72.23 0.47 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.41 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.2 OUTLIER -125.92 -19.84 4.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.941 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.527 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.7 114.52 3.53 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.498 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 31.3 p -126.87 40.45 3.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.901 0.381 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -49.67 -30.54 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 -132.54 -35.3 1.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.408 ' HB2' HD11 ' A' ' 5' ' ' ILE . 3.2 mtt85 -79.36 72.4 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -72.46 -51.22 21.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -95.67 57.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.495 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -143.64 10.88 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.849 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.8 m -78.52 142.73 37.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 76.3 m -51.39 163.02 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -56.27 125.66 22.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.07 1.88 61.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.24 163.58 13.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.756 0.313 . . . . 0.0 110.922 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' O ' HG22 ' A' ' 35' ' ' VAL . 8.5 pt-20 -153.63 124.91 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.49 130.19 45.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 73.5 t-105 -130.1 138.79 50.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -91.22 148.38 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -142.19 145.24 33.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -86.52 -25.92 24.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mmt85 -81.97 -25.84 34.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 t -150.9 159.73 44.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -56.54 161.13 2.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -61.45 141.97 57.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.527 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.4 m -146.16 150.55 15.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 56.9 m -71.8 102.42 2.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 23' ' ' GLU . 27.0 m -92.54 150.16 39.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.682 0.753 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.58 19.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -64.26 142.69 58.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.29 159.6 29.3 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.551 0.691 . . . . 0.0 111.179 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 172.27 13.02 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.274 . . . . 0.0 112.315 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -92.16 109.09 20.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 -179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.851 0.358 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -136.81 101.21 4.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -109.36 92.94 4.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.5 p -172.54 161.11 4.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -80.05 127.61 76.39 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.576 0.703 . . . . 0.0 111.14 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -170.96 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.675 2.25 . . . . 0.0 112.341 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -77.47 119.0 20.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.426 ' CD1' HG12 ' A' ' 35' ' ' VAL . 7.5 m0 60.44 73.43 0.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -124.8 -18.73 5.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.863 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.51 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 99.11 110.34 3.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 p -127.39 70.95 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -84.32 -13.48 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -139.19 11.24 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -149.3 70.16 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -72.93 -51.34 18.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.83 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.51 53.22 4.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.512 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.52 12.57 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.1 m -76.26 157.82 32.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 80.9 m -59.51 155.9 14.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -51.93 114.07 1.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.17 15.06 22.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.497 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.3 mt -120.91 149.3 42.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.814 0.34 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -138.06 118.84 14.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 8.0 t -59.08 114.72 2.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -109.1 148.26 31.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.48 139.99 36.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 45.3 mtp85 -133.28 152.22 51.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.7 ttm180 -89.93 -27.32 19.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -86.82 -25.76 24.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.8 t -141.23 161.25 38.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' O ' HG13 ' A' ' 33' ' ' VAL . 19.4 p90 -65.61 160.91 21.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -60.65 132.78 54.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.51 HG12 ' HA2' ' A' ' 10' ' ' GLY . 16.6 m -138.17 156.15 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 86.9 m -77.87 102.86 7.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.426 HG12 ' CD1' ' A' ' 8' ' ' TRP . 16.4 m -98.53 154.2 37.63 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 129.58 17.88 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.707 2.271 . . . . 0.0 112.379 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.8 mtmt -52.06 145.22 10.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.96 159.65 31.03 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.541 0.686 . . . . 0.0 111.164 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 88.52 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.679 2.253 . . . . 0.0 112.367 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -93.59 109.35 20.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -138.3 128.82 26.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -132.99 94.43 3.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.75 159.89 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.413 HG23 ' HB3' ' A' ' 9' ' ' LYS . 16.1 mt -86.82 119.91 71.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.604 0.716 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -170.69 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.675 2.25 . . . . 0.0 112.366 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -76.13 119.45 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 62.62 68.57 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HB3' HG23 ' A' ' 5' ' ' ILE . 10.3 tptp -125.28 -18.76 5.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.566 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.87 119.74 4.66 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 20.7 p -132.86 56.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.408 HG12 ' CD ' ' A' ' 32' ' ' GLU . 17.3 m -80.04 -20.51 11.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.133 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -132.64 5.55 3.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -145.51 76.31 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -74.02 -50.88 17.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.81 54.68 4.07 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.461 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -142.33 12.51 1.96 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.5 m -76.82 142.61 40.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.1 m -52.89 160.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -52.54 127.12 21.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.37 9.32 61.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.492 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 mt -118.88 162.29 18.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -153.14 131.11 11.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 t -66.76 132.17 47.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 39.7 t-105 -135.84 140.27 44.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 143.07 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -156.75 156.28 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -73.17 -24.85 60.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -58.53 -43.96 89.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 46.5 t -155.59 162.19 40.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -51.95 161.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.408 ' CD ' HG12 ' A' ' 12' ' ' VAL . 1.5 mp0 -56.99 130.04 44.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG12 ' HA2' ' A' ' 10' ' ' GLY . 22.3 m -142.8 151.11 17.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.9 m -72.78 102.73 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.4 m -88.17 153.32 51.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 130.24 18.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.68 2.253 . . . . 0.0 112.344 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -62.94 143.61 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.37 159.62 31.53 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.554 0.692 . . . . 0.0 111.179 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 116.37 4.53 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.688 2.259 . . . . 0.0 112.341 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -81.74 115.64 21.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.1 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.824 0.345 . . . . 0.0 110.823 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.0 mp0 -86.14 146.16 26.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -114.15 33.8 5.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.5 p -175.21 161.18 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.426 HG23 ' HB3' ' A' ' 9' ' ' LYS . 16.0 mt -86.61 128.27 57.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.61 0.719 . . . . 0.0 111.133 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -169.63 0.34 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.668 2.245 . . . . 0.0 112.379 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttpt -76.75 114.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 11.3 m0 63.04 75.22 0.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HB3' HG23 ' A' ' 5' ' ' ILE . 2.0 tmtt? -125.5 -20.29 4.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.52 109.43 3.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.498 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -120.57 42.98 2.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.1 m -59.08 -26.83 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -143.19 20.33 1.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -142.22 69.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -72.33 -51.26 21.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -88.66 48.62 3.55 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.476 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.99 5.63 3.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 13.0 m -74.47 141.21 44.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 71.7 m -52.96 165.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -58.97 123.09 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.23 7.34 57.25 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 mt -115.1 166.12 12.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.331 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -153.13 132.55 12.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 47.7 t -68.76 116.82 9.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 42.0 t-105 -104.9 148.15 26.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.5 tttp -97.65 147.95 23.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.39 149.27 42.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -89.44 -64.02 1.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -67.74 -23.42 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 t -114.62 -170.73 1.79 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 27.2 p90 -108.34 161.43 15.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -57.09 134.67 56.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 m -146.94 150.94 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.102 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 53.7 m -79.28 102.53 8.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 10.5 m -93.51 152.19 40.74 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.627 0.727 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 132.99 24.49 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.678 2.252 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -66.45 138.48 57.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.81 159.6 31.12 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.609 0.718 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 164.27 35.1 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.698 2.266 . . . . 0.0 112.39 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -113.1 111.65 22.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.857 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.7 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.156 179.983 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.9 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.842 0.353 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -148.01 135.34 20.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -127.5 103.77 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -173.36 161.62 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 2.4 mt -81.92 129.45 64.64 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.661 0.743 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -170.63 0.4 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.294 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -78.56 116.07 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.435 ' HE1' HG12 ' A' ' 35' ' ' VAL . 7.8 m0 63.71 74.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -124.81 -19.36 5.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.909 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 100.11 106.05 2.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.5 p -122.99 68.89 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.373 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.2 m -82.23 -12.24 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.154 179.933 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -141.97 12.78 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -149.74 69.72 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -72.64 -51.46 19.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.25 52.93 4.39 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -145.11 11.69 1.36 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.1 m -76.78 158.23 31.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.0 m -59.9 155.88 15.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.8 tt0 -52.04 114.12 1.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.72 14.4 23.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.5 mt -120.72 148.12 44.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.775 0.321 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -137.24 119.74 15.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 7.2 t -59.4 113.52 2.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -107.9 148.38 29.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tttt -100.23 145.73 27.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 -143.1 146.35 33.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 179.952 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -84.26 -26.99 28.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 9.0 mmt-85 -87.65 -28.19 22.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 t -137.27 152.65 50.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.522 ' O ' HG13 ' A' ' 33' ' ' VAL . 17.3 p90 -62.48 160.67 13.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -56.91 130.89 47.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 31' ' ' PHE . 17.3 m -138.91 153.92 25.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 85.9 m -77.22 102.93 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 8' ' ' TRP . 17.2 m -99.18 154.14 37.45 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.659 0.742 . . . . 0.0 111.119 179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 129.66 17.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.665 2.243 . . . . 0.0 112.339 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.1 mtmt -52.49 145.2 11.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.32 159.64 67.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.598 0.713 . . . . 0.0 111.124 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 105.52 1.51 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.678 2.252 . . . . 0.0 112.332 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.57 118.42 36.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 179.973 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 35.9 p . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.173 179.951 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.4 t . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.825 0.345 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -87.84 169.11 12.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 -179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -100.13 -19.61 16.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.9 p -175.2 160.34 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.439 HG23 ' HB3' ' A' ' 9' ' ' LYS . 15.8 mt -85.75 126.45 66.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.602 0.715 . . . . 0.0 111.132 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -170.24 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.689 2.259 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.2 ttpt -76.82 115.49 16.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 12.0 m0 63.8 73.64 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.951 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' HB3' HG23 ' A' ' 5' ' ' ILE . 1.0 OUTLIER -125.64 -19.89 4.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.939 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.59 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 110.13 112.97 3.47 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 179.936 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -124.44 46.52 2.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.86 0.362 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.9 m -62.93 -24.37 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.15 179.899 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -143.67 18.43 1.83 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -141.29 70.75 1.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -73.7 -51.14 17.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.61 50.71 3.25 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -139.15 9.31 2.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 16.7 m -77.22 143.34 39.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -51.72 164.83 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 65.5 tt0 -58.87 121.44 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 98.65 8.21 54.76 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.522 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.0 mt -116.53 164.36 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 110.901 -179.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -153.37 132.77 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.6 t -68.22 130.26 42.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -128.31 136.16 50.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -88.63 154.55 20.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.897 179.905 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -135.08 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -107.38 -24.69 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 17.9 mmm-85 -101.28 -24.18 14.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -131.22 171.69 13.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 25.7 p90 -79.33 158.48 27.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.93 136.98 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.59 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -144.84 148.29 18.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 50.9 m -69.88 102.5 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 35.9 m -94.04 152.04 40.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.665 0.745 . . . . 0.0 111.098 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 139.78 40.92 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 2.276 . . . . 0.0 112.315 179.944 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -71.31 142.19 50.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.73 159.62 84.95 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.604 0.716 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 114.86 3.86 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.659 2.24 . . . . 0.0 112.304 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -110.43 111.15 22.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.955 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.128 179.995 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 85.8 p . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.828 0.347 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -104.64 110.85 23.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -102.65 -18.94 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.3 p -175.03 157.63 2.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.405 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.8 mt -84.94 126.16 68.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.653 0.74 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -170.36 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.704 2.27 . . . . 0.0 112.335 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -76.76 119.25 20.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.4 m0 60.39 72.53 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -125.97 -19.22 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.574 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.56 117.4 3.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.46 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -128.31 45.37 2.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.838 0.351 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 22.5 m -62.69 -23.65 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -144.33 19.72 1.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.6 mtt-85 -142.58 71.35 1.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -74.16 -51.25 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.26 51.21 3.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.463 -179.899 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -139.71 9.32 2.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.855 0.359 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.2 142.44 37.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.9 m -51.51 167.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -59.56 127.03 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.03 6.55 64.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.5 mt -113.51 161.88 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' VAL . 15.1 pt-20 -153.28 132.25 12.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 54.0 t -67.56 131.53 45.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 67.0 t-105 -130.34 136.11 48.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.6 ttpp -91.05 135.74 33.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -115.13 165.93 12.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -103.47 -24.97 13.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.891 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -104.77 -8.46 18.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.3 m -146.95 159.5 43.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.4 p90 -67.46 158.46 31.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.898 -179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -57.09 137.58 55.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.574 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.5 m -145.39 148.95 17.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 54.9 m -70.86 102.23 2.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 23' ' ' GLU . 28.2 m -92.17 151.22 41.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.607 0.718 . . . . 0.0 111.144 179.916 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.918 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -64.91 135.64 55.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -99.53 159.6 29.61 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.546 0.689 . . . . 0.0 111.163 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 146.2 59.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.364 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -116.97 117.99 31.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.978 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.3 t . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.889 0.376 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -108.84 114.1 27.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.22 88.88 2.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 20.9 p -174.61 153.72 1.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' A' ' 14' ' ' ARG . 13.7 mt -81.32 119.22 75.17 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.613 0.721 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -170.78 0.41 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.75 2.3 . . . . 0.0 112.366 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttpm? -76.18 120.26 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.8 m0 62.58 67.31 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.956 179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.408 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.3 OUTLIER -125.48 -18.69 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.937 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.606 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 104.97 124.52 5.42 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.5 179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 25.7 p -133.84 39.7 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -59.56 -20.4 18.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -130.19 -39.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.576 ' HB2' HD11 ' A' ' 5' ' ' ILE . 2.7 mtt85 -95.2 78.22 3.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -74.43 -51.06 15.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -93.35 59.07 2.29 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -146.8 16.33 1.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 110.852 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.4 m -78.4 143.23 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 57.2 m -53.32 160.41 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -52.04 126.48 18.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.27 10.38 60.92 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.467 -179.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.0 mt -120.52 161.17 21.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.738 0.304 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -153.24 133.91 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 44.8 t -66.16 129.74 40.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -123.47 144.57 49.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -102.37 109.07 20.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -104.33 145.01 30.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.88 -35.34 26.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -83.56 -25.92 30.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.6 t -133.47 143.83 49.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 -179.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 17.0 p90 -54.02 161.09 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -56.88 131.41 49.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.606 HG12 ' HA2' ' A' ' 10' ' ' GLY . 14.5 m -144.39 156.34 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 60.2 m -79.57 102.75 9.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.8 m -88.76 153.55 49.94 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.637 0.732 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.315 179.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.1 mtpt -63.06 140.08 58.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.89 179.873 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.36 159.64 52.89 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.533 0.682 . . . . 0.0 111.18 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 145.22 56.52 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.693 2.262 . . . . 0.0 112.302 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm -86.78 126.65 34.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.154 179.973 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.358 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -137.32 108.22 6.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -140.74 110.6 6.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 p -175.1 156.62 2.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.922 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.414 HG23 ' HB3' ' A' ' 9' ' ' LYS . 18.8 mt -83.82 126.84 69.6 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.676 0.75 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -170.41 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.715 2.277 . . . . 0.0 112.332 179.895 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -77.23 116.03 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 10.9 m0 63.91 73.38 0.44 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.414 ' HB3' HG23 ' A' ' 5' ' ' ILE . 0.1 OUTLIER -125.65 -19.78 4.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.906 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.551 ' HA2' HG12 ' A' ' 33' ' ' VAL . . . 109.02 111.61 3.46 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.956 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.4 p -121.92 46.46 2.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.911 0.386 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -62.98 -22.52 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -146.2 20.02 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt-85 -142.36 71.63 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -74.35 -51.16 15.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -91.19 51.7 3.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -140.49 9.26 2.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.3 m -78.25 141.94 38.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 82.2 m -51.45 161.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.86 125.37 19.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.66 3.07 61.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.9 mt -111.81 162.98 14.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.816 0.341 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' VAL . 7.9 pt-20 -153.33 131.39 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 53.7 t -65.99 132.27 48.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 71.1 t-105 -128.8 132.75 47.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -85.03 157.18 20.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -152.86 148.54 27.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.1 ttm180 -91.01 -35.96 14.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 -179.898 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.6 mmt85 -73.95 -28.41 61.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.5 m -138.12 -174.05 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -89.52 157.29 18.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -56.99 137.55 55.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.551 HG12 ' HA2' ' A' ' 10' ' ' GLY . 15.7 m -145.5 149.53 16.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 55.6 m -71.92 102.42 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 23' ' ' GLU . 33.0 m -92.82 151.82 41.15 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.613 0.72 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 130.32 19.17 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.356 179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -63.96 137.26 57.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -126.38 159.65 61.89 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.101 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 142.62 48.2 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.704 2.27 . . . . 0.0 112.321 179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.01 115.34 25.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.136 -179.974 . . . . . . . . 0 0 . 1 stop_ save_