data_1ufx_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 1ufx _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.9 m -132.4 104.4 6.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 111.165 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.456 ' CD2' ' OD1' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -56.97 124.64 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.441 ' N ' HD11 ' A' ' 9' ' ' LEU . 60.0 t -117.49 119.6 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.6 ttm105 -94.77 117.36 30.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.25 111.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.04 144.67 47.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HG3' ' C ' ' A' ' 87' ' ' ASP . 13.3 mttm -75.51 57.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.7 t -67.69 -44.78 76.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 156.64 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.15 -25.19 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.6 p -150.65 131.74 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 tp -72.35 129.34 38.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.14 97.83 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 pt -139.53 144.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.68 141.44 52.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.6 pt -140.37 177.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -156.28 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -141.99 15.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 122.69 153.26 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.33 -63.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -41.4 -49.78 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 61.9 p -75.48 149.87 38.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 14.1 ptt85 -36.15 -41.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -79.99 116.52 61.83 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.578 0.704 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.88 149.96 36.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 138.98 39.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 58.4 ttt85 -116.22 130.79 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -64.1 116.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 m -101.45 -32.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -144.76 135.36 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.9 mt -118.29 101.78 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -49.74 148.27 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -67.97 -54.44 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.41 48.9 3.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.88 136.23 9.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 m -38.25 -53.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.02 -61.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -52.78 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.2 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.882 0.373 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.425 ' H ' ' CE1' ' A' ' 55' ' ' HIS . 35.0 mtpt -136.39 167.13 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.6 113.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.49 ' O ' ' CZ ' ' A' ' 35' ' ' ARG . . . 127.8 11.16 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' CE1' ' H ' ' A' ' 52' ' ' LYS . 20.4 m170 -84.41 173.49 10.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.3 t -134.54 109.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.443 HG23 ' CG2' ' A' ' 60' ' ' VAL . 12.4 mt -74.12 112.64 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.4 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.7 mt -101.02 -25.56 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CB ' HD23 ' A' ' 92' ' ' LEU . 29.3 tt0 -150.74 136.66 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.443 ' CG2' HG23 ' A' ' 57' ' ' ILE . 56.4 t -130.85 112.42 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.7 29.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -33.39 6.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.79 115.95 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.59 139.72 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 76' ' ' ILE . 86.8 mt -94.57 16.94 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.37 131.05 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 27' ' ' ALA . . . 68.55 8.28 55.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -98.77 146.52 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.1 mt-10 -82.92 141.83 31.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.518 ' CE1' HG13 ' A' ' 23' ' ' ILE . 2.0 t60 -37.1 -45.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -54.36 47.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.51 -35.66 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.62 -51.56 40.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.1 -37.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -73.36 -42.87 61.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 HD11 ' CD2' ' A' ' 65' ' ' LEU . 31.2 mt -57.68 -49.37 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.69 -51.54 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.33 -44.32 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.58 -33.37 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.53 -22.38 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.0 -41.99 16.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -56.94 -59.24 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 t -39.71 157.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' ASP . 67.9 mttt -113.07 -28.98 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 84' ' ' LYS . 9.2 m-20 -35.98 -50.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -114.39 140.47 48.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.411 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 5.0 p-10 -100.47 39.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.425 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 4.2 p90 -167.15 172.71 9.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.411 HG22 ' CZ ' ' A' ' 91' ' ' PHE . 6.6 mt -133.9 125.58 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.456 ' OD1' ' CD2' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -77.29 127.26 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.411 ' CZ ' HG22 ' A' ' 89' ' ' ILE . 56.3 m-85 -126.12 103.96 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 59' ' ' GLU . 9.0 tp -87.85 109.82 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -119.48 161.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -124.89 107.25 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.8 127.7 33.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.5 t -118.22 105.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -80.03 112.18 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -104.11 108.01 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.48 139.06 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 46.9 mttt -76.59 59.84 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -76.49 -40.72 49.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.36 -177.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.09 -40.9 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -142.06 165.55 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -93.71 113.42 25.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.11 104.88 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.4 pt -152.53 150.56 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.58 147.03 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -145.88 176.53 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 16.1 pt-20 -154.49 177.77 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.99 -147.71 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.95 151.59 6.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -18.77 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -86.27 14.72 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -148.42 174.83 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -48.55 -35.0 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -89.73 109.89 35.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.596 0.712 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -45.74 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 3.0 mm? -102.56 153.05 38.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.09 34.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' HG23 ' A' ' 23' ' ' ILE . 44.9 ttt-85 -115.11 130.09 56.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.3 mt -66.44 115.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.425 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 13.5 m -100.32 -30.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -148.51 135.08 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.18 103.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.11 128.78 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 22.8 ttt-85 -85.74 79.32 9.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.32 39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.13 -159.52 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.8 p -72.37 -36.65 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' HIS . . . -67.3 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 8.0 t-160 -37.88 -56.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.91 0.386 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -150.27 164.65 35.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.83 115.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.21 -0.1 7.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -73.79 173.36 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.6 t -135.66 106.88 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' ' CG2' ' A' ' 60' ' ' VAL . 29.4 mt -73.42 110.2 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 mt -93.52 -35.82 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -139.59 142.72 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.46 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 98.0 t -136.46 112.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.8 m120 61.36 33.33 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.66 -30.57 7.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.7 131.85 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 78.8 mt -110.54 1.78 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -48.36 -29.65 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.86 32.4 3.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 57.3 mmtt -116.18 147.02 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' GLU . 30.8 mt-10 -89.72 145.11 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.473 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 9.1 t60 -34.37 -42.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -67.8 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.0 tt0 -59.4 -39.93 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.77 -38.32 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.19 -46.25 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 79.4 mt -53.44 -50.09 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.35 -49.65 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.59 -44.87 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -56.97 -31.77 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -15.22 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -94.43 -40.1 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -59.16 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 t -40.67 147.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ASP . 3.9 tmtm? -96.66 -38.26 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' LYS . 26.1 t70 -37.86 -59.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -88.65 129.46 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -101.79 36.34 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.456 ' N ' ' HE3' ' A' ' 14' ' ' LYS . 54.6 p90 -173.73 -179.11 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.557 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 74.8 mt -144.98 118.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.39 128.68 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 89' ' ' ILE . 56.3 m-85 -122.88 103.3 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.8 tp -87.94 102.32 14.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.7 m -111.37 162.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -132.38 101.86 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -61.16 125.47 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.435 ' N ' HD12 ' A' ' 9' ' ' LEU . 24.1 t -117.47 116.68 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -85.27 103.38 14.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.6 t -90.44 111.94 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.49 141.26 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 60.5 mttt -76.61 49.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -67.04 -46.71 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.85 153.15 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.09 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -125.18 143.12 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.23 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.41 87.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 pt -149.25 144.32 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.13 140.18 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.73 176.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.403 ' CD ' HG11 ' A' ' 37' ' ' VAL . 26.5 pt-20 -156.09 153.61 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.93 -147.45 18.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 138.28 147.83 5.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.86 -24.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLY . 16.7 t-20 -69.11 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 30' ' ' ARG . 3.6 t -60.88 178.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' OG1' ' A' ' 29' ' ' THR . 20.8 ttm-85 -57.65 -29.19 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -85.66 116.38 65.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.8 mm? -101.06 154.84 36.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.41 47.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' C ' HG22 ' A' ' 23' ' ' ILE . 43.4 ttt180 -120.14 130.15 54.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.91 122.59 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.403 HG11 ' CD ' ' A' ' 24' ' ' GLU . 7.8 m -106.57 -30.71 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -145.86 139.78 26.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 53' ' ' VAL . 70.0 mt -121.75 100.51 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -43.77 137.63 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 31.2 ttt180 -66.68 -56.31 11.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.99 51.27 2.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.21 172.2 22.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -70.74 -50.91 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.3 -50.14 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.6 t-160 -61.15 -57.8 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -150.17 155.49 39.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 39' ' ' ILE . 54.4 t -66.98 107.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.55 -7.04 3.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -67.7 174.13 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.404 HG11 ' CD2' ' A' ' 58' ' ' LEU . 94.9 t -135.27 108.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.47 116.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' CD2' HG11 ' A' ' 56' ' ' VAL . 2.0 mt -103.1 -27.62 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -147.26 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.41 111.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 80' ' ' ALA . 7.7 m-20 59.32 35.22 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.38 -30.96 7.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.0 131.55 45.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.05 145.07 26.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 91.7 mt -112.08 6.29 19.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.422 ' N ' HD13 ' A' ' 33' ' ' LEU . 11.9 ptt180 -50.45 -35.6 29.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.09 38.97 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.543 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -121.53 148.01 45.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' GLU . 27.4 mt-10 -93.75 146.51 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CE1' HG13 ' A' ' 23' ' ' ILE . 8.3 t60 -35.96 -42.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.425 ' CD ' ' C ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -66.82 -47.02 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.7 tt0 -61.7 -41.59 97.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.39 -47.63 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.03 -38.03 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -73.87 -45.67 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.9 mt -54.44 -49.16 67.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.8 mt -59.54 -49.96 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.09 -45.2 75.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.93 -32.33 65.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . . . -70.0 -29.55 66.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.79 -41.53 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.22 -57.76 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -38.67 149.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -105.74 25.59 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.21 -66.58 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.504 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.2 ptp180 -113.04 144.91 41.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -87.03 38.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.504 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 14.0 p90 -170.33 -179.53 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 91' ' ' PHE . 49.4 mt -142.13 121.42 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.91 118.5 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CE2' HG22 ' A' ' 89' ' ' ILE . 55.9 m-85 -116.36 106.34 13.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.8 tp -86.67 104.04 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.57 162.45 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -116.29 115.43 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.159 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.56 119.51 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 11' ' ' ARG . 49.0 t -108.36 138.65 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.424 ' N ' HG13 ' A' ' 10' ' ' VAL . 5.7 ttp-105 -108.05 109.01 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.97 108.35 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.0 145.04 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.2 mttt -76.43 54.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -59.94 -41.86 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.13 177.65 8.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.32 20.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.8 p -140.45 153.29 46.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 tp -84.86 140.59 31.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.546 ' C ' ' NE2' ' A' ' 40' ' ' GLN . . . -138.14 88.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.556 ' N ' HE22 ' A' ' 40' ' ' GLN . 6.2 pt -139.79 149.34 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.87 142.69 51.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.519 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -140.4 176.44 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -158.43 151.52 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.97 -144.4 16.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.14 153.74 8.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.5 -58.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -46.85 -48.37 21.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ARG . 44.7 p -76.18 150.78 37.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' THR . 7.2 tpt180 -35.88 -44.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -77.38 116.47 58.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.74 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.03 155.24 36.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 138.56 38.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' C ' HG21 ' A' ' 23' ' ' ILE . 22.9 ttp180 -117.33 126.36 52.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.5 mt -64.67 115.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 m -101.65 -30.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.2 m -148.37 138.1 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.5 mt -121.38 96.88 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.556 HE22 ' N ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -53.11 139.54 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.98 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.488 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 44.1 mtp180 -78.13 167.69 21.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.0 -37.27 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.2 -171.93 2.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.4 p -77.69 -39.48 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . . . -51.15 -59.45 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.488 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.8 t-160 -56.02 -45.94 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -151.49 158.65 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.65 116.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.96 4.18 8.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -76.32 176.83 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.1 t -136.25 106.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.47 HG23 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -73.95 110.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.2 mt -97.32 -26.07 15.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' CB ' HD23 ' A' ' 92' ' ' LEU . 22.4 tt0 -147.19 144.41 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.47 ' CG2' HG23 ' A' ' 57' ' ' ILE . 46.0 t -139.9 116.95 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 60.43 31.54 20.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.8 -31.28 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.16 117.12 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.49 132.82 39.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 76' ' ' ILE . 56.7 mt -84.4 14.34 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -60.93 134.1 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.08 23.95 62.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -112.21 141.46 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.1 mt-10 -78.64 141.2 38.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.519 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.7 t60 -34.44 -46.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.04 -55.51 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.86 -38.51 35.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.51 -49.33 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.33 -33.82 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -78.03 -43.6 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.453 HD11 ' CD2' ' A' ' 65' ' ' LEU . 47.0 mt -57.76 -47.03 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.33 -52.57 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.96 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.65 -29.32 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.43 -20.77 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.418 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 5.9 t80 -86.99 -40.93 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' THR . 35.7 mttm -61.66 -63.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' LYS . 12.8 t -36.62 149.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -107.13 29.77 6.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -77.43 -49.75 14.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -135.77 144.96 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.26 39.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 86' ' ' ARG . 25.3 p90 -169.29 174.37 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 94.9 mt -135.36 119.22 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.85 114.38 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -111.48 104.16 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.446 HD23 ' CB ' ' A' ' 59' ' ' GLU . 10.2 tp -83.99 112.17 19.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.92 163.87 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 93' ' ' VAL . 99.1 m -129.32 110.02 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -73.99 121.33 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.403 ' N ' HD11 ' A' ' 9' ' ' LEU . 59.2 t -115.55 122.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -96.72 102.12 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -97.09 115.7 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -76.24 132.99 40.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.566 ' HD2' ' CD1' ' A' ' 81' ' ' PHE . 4.8 mtmp? -75.83 51.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -77.72 -29.97 51.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 155.69 39.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.78 75.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -149.81 151.49 33.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 21' ' ' ILE . 2.1 tt -82.34 144.03 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.68 87.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 19' ' ' LEU . 24.6 pt -135.21 132.4 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.7 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.476 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.4 pt -144.38 175.9 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -151.65 -179.95 7.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 -157.38 41.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 29' ' ' THR . . . 142.53 153.82 6.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.76 -24.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' GLY . 27.6 t-20 -90.26 40.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 10.6 t -174.92 162.6 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 30' ' ' ARG . 2.7 tmt_? -37.45 -35.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -93.12 112.14 54.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.9 mm? -99.3 154.8 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.47 ' CG ' HD11 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.77 139.81 41.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' HG23 ' A' ' 23' ' ' ILE . 46.3 ttp85 -117.91 127.04 53.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.89 112.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.57 -29.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 39' ' ' ILE . 16.5 m -147.1 141.63 26.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.449 ' N ' HG21 ' A' ' 38' ' ' THR . 79.5 mt -122.77 97.8 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -51.04 129.21 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -60.39 144.39 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . 91.12 -51.55 3.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' GLY . . . -35.06 147.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 p -45.59 -27.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ASN . 3.2 t-160 -60.85 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' HIS . 41.5 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -147.51 141.24 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.02 113.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.54 0.37 6.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.02 176.35 8.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -137.65 109.53 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.508 ' CG2' ' CG2' ' A' ' 60' ' ' VAL . 28.9 mt -74.15 109.16 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.1 mt -95.2 -25.98 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CB ' HD22 ' A' ' 92' ' ' LEU . 29.7 tt0 -150.42 144.09 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.508 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 88.6 t -141.36 124.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 57.33 31.01 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.8 -29.25 8.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -78.49 117.85 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -79.76 143.16 34.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.522 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 80.7 mt -99.68 10.21 41.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 67' ' ' GLY . 3.4 ppt_? -43.93 -37.21 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 66' ' ' ARG . . . -124.97 43.24 1.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -125.48 142.28 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 23.6 mt-10 -84.24 144.9 28.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 7.2 t60 -34.56 -41.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 3.1 tmt_? -67.85 -50.13 58.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 69' ' ' GLU . 7.1 tp10 -57.59 -37.51 73.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.432 ' CB ' HD13 ' A' ' 65' ' ' LEU . . . -67.02 -54.47 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.76 -35.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.69 -45.81 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.417 HD12 ' CD2' ' A' ' 65' ' ' LEU . 61.3 mt -54.28 -49.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.1 mt -60.53 -49.35 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.19 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -58.16 -30.9 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.84 -23.8 62.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 14' ' ' LYS . 2.9 t80 -81.0 -40.41 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -59.02 -60.77 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -38.74 145.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -100.59 -30.79 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -39.45 -59.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 38.7 ttm-85 -89.5 140.17 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.66 25.98 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.411 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 33.6 p90 -168.09 172.43 8.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.535 HG21 ' CE2' ' A' ' 91' ' ' PHE . 87.6 mt -129.78 116.03 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.78 130.33 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CE2' HG21 ' A' ' 89' ' ' ILE . 50.4 m-85 -128.32 102.75 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 59' ' ' GLU . 12.1 tp -84.25 104.84 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 8' ' ' THR . 33.6 m -114.31 157.44 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.0 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 m -111.45 107.3 16.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.408 HD12 ' CG ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -61.01 121.72 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.25 106.18 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -83.1 107.03 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.83 99.4 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -69.02 142.18 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.3 mttt -68.98 83.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -93.63 -46.62 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -175.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.21 -40.36 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -153.25 131.78 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.9 140.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.54 99.54 0.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 pt -146.14 148.39 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.09 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.68 149.75 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.418 HG23 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -144.16 175.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.462 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 18.4 pt-20 -155.84 146.6 22.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 -154.76 20.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.07 142.37 3.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -64.09 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 p -56.26 174.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -51.56 -48.91 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -76.5 116.53 57.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.701 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.524 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.9 mm? -99.64 154.55 37.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 134.21 27.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.42 ' NE ' ' CG2' ' A' ' 56' ' ' VAL . 21.5 ttm180 -114.39 127.36 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.07 124.51 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 10.1 m -109.56 -30.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -150.12 134.71 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -112.96 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -46.21 137.67 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.446 HH21 ' CD2' ' A' ' 46' ' ' HIS . 2.2 tpm_? -65.3 -46.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.93 65.71 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.63 159.76 28.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -56.34 -49.11 75.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.32 -38.05 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CD2' HH21 ' A' ' 41' ' ' ARG . 10.4 t-160 -76.77 -48.63 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -148.61 156.46 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.08 118.72 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.16 -4.93 7.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -73.1 170.72 14.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG2' ' NE ' ' A' ' 35' ' ' ARG . 87.7 t -136.09 112.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.463 HG21 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -75.57 113.38 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mt -98.0 -30.15 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.75 140.6 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.463 ' CG2' HG21 ' A' ' 57' ' ' ILE . 85.3 t -131.39 116.8 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.64 32.69 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.25 -32.47 6.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.38 128.95 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -85.54 143.07 28.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.524 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 87.6 mt -109.33 5.36 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -50.02 -38.74 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.82 42.15 1.85 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -124.9 146.97 49.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.9 mt-10 -90.49 143.9 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 69' ' ' GLU . 12.8 t60 -34.69 -41.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -49.25 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -59.06 -39.86 83.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.38 63.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.91 -39.83 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -71.97 -46.04 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.7 mt -53.92 -50.42 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.2 -50.61 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.49 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -56.68 -31.59 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.53 -28.13 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -79.61 -44.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' THR . 62.8 mttt -58.87 -60.52 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' LYS . 9.8 t -36.97 145.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -102.02 -18.13 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -52.86 -54.93 27.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 25.0 ttm180 -104.35 118.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.08 41.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 43.0 p90 -174.93 175.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.552 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 62.1 mt -137.44 121.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.408 ' CG ' HD12 ' A' ' 9' ' ' LEU . 25.6 m-20 -81.15 121.55 26.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.552 ' CZ ' HG23 ' A' ' 89' ' ' ILE . 50.3 m-85 -116.86 105.71 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.2 tp -87.84 110.73 20.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.45 159.99 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.6 m -134.77 124.47 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.71 119.81 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.3 t -110.76 110.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -83.5 106.35 15.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.65 111.83 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 145.13 43.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 30.5 mttm -78.2 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -59.2 -45.97 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.68 174.74 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.69 -23.81 29.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 t -154.19 130.89 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.89 109.66 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.93 111.1 3.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.9 pt -149.51 155.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.88 150.89 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.415 HG21 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -145.7 175.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.407 ' CG ' HG13 ' A' ' 37' ' ' VAL . 19.4 pt-20 -156.55 137.83 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 70' ' ' HIS . . . 135.54 -158.02 23.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 145.52 145.4 4.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.01 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLY . 5.4 t-20 -72.54 -63.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 t -62.65 172.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -50.54 -34.02 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -85.06 116.32 64.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.31 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.8 mm? -103.68 155.03 37.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 140.08 41.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' C ' HG21 ' A' ' 23' ' ' ILE . 35.5 ttp180 -117.49 127.87 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -63.71 112.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.407 HG13 ' CG ' ' A' ' 24' ' ' GLU . 10.6 m -98.72 -30.47 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 100.0 m -147.97 136.33 21.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.3 mt -120.09 104.35 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -52.47 130.87 32.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -64.29 -40.52 96.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.97 55.78 4.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.43 -175.33 20.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -36.1 38.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -77.67 -48.66 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -148.52 164.35 34.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.08 108.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.94 4.75 3.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -78.01 177.07 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.3 mt -74.51 113.22 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.7 mt -100.07 -25.87 14.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CB ' HD22 ' A' ' 92' ' ' LEU . 43.8 tt0 -147.27 144.52 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.8 t -138.25 109.58 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.4 30.91 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -34.87 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.52 116.44 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 t -81.76 140.1 34.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 61.3 mt -95.62 14.59 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -51.84 -39.89 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.25 34.34 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -119.76 147.83 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' HIS . 29.6 mt-10 -90.09 145.99 24.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' GLU . 7.1 t60 -34.94 -44.72 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -50.68 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' GLU . 4.3 tp10 -56.8 -35.36 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.432 ' CB ' HD23 ' A' ' 65' ' ' LEU . . . -66.96 -50.97 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.38 -35.32 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -75.93 -46.09 31.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.9 -48.72 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -59.57 -52.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.58 68.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.59 -30.13 68.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.28 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.485 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 4.0 t80 -94.61 -38.08 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' THR . 20.4 mttp -63.13 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' LYS . 10.0 t -36.56 143.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -91.89 -30.3 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -43.34 -63.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.2 ttm105 -90.19 129.47 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.45 24.48 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.497 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 10.5 p90 -162.11 173.72 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.495 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 43.6 mt -131.41 122.52 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -81.77 118.88 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.495 ' CZ ' HG21 ' A' ' 89' ' ' ILE . 55.9 m-85 -114.4 107.9 16.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 59' ' ' GLU . 6.2 tp -89.63 107.73 19.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.04 161.19 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -127.33 114.84 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -78.84 121.62 25.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.406 ' N ' HD13 ' A' ' 9' ' ' LEU . 38.4 t -119.69 106.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.499 ' HG3' ' CD1' ' A' ' 88' ' ' TYR . 29.6 ttm180 -85.36 102.11 13.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -94.05 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.49 145.91 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 40.1 mttm -75.4 62.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -48.47 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.86 168.21 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.75 -29.32 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.66 153.61 28.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 77' ' ' ILE . 16.5 tp -73.89 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.96 99.14 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.3 pt -150.66 147.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.07 49.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.417 HG21 ' C ' ' A' ' 35' ' ' ARG . 1.1 pt -143.83 176.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.5 pt-20 -159.65 144.6 15.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.97 -146.02 17.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.28 152.45 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.97 -47.05 16.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.325 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -56.53 -45.8 80.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ARG . 71.1 p -76.72 155.42 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' THR . 11.9 ttm180 -36.16 -51.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.24 116.43 46.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.8 mm? -100.65 150.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 136.48 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' HG21 ' A' ' 23' ' ' ILE . 32.7 ttt180 -114.17 130.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.48 117.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.411 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 16.1 m -101.61 -33.78 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.9 m -142.34 135.88 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.4 mt -119.5 101.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.07 145.57 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -70.0 -50.0 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.33 47.9 3.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.75 148.35 16.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.1 p -52.44 -25.72 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.59 -58.25 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.409 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 13.4 t-160 -48.17 -63.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' HIS . 71.8 m-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.921 0.391 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -148.76 161.08 42.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.9 t -73.89 108.63 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.45 -4.07 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -71.12 170.22 13.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.454 HG11 ' CD2' ' A' ' 58' ' ' LEU . 79.7 t -131.63 110.1 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.465 HG21 ' CG2' ' A' ' 60' ' ' VAL . 28.3 mt -72.96 109.9 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.454 ' CD2' HG11 ' A' ' 56' ' ' VAL . 1.1 mt -96.79 -28.09 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -144.01 140.08 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.465 ' CG2' HG21 ' A' ' 57' ' ' ILE . 73.0 t -132.96 124.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 80' ' ' ALA . 2.6 m120 49.44 31.78 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.04 -32.29 7.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 2.7 mm? -64.95 152.43 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.89 146.91 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 79.4 mt -115.7 4.79 14.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -51.91 -38.66 57.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.72 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -121.65 143.93 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.4 mt-10 -86.24 145.35 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 69' ' ' GLU . 8.1 t60 -34.28 -43.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -65.0 -47.16 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.6 tp10 -57.9 -43.97 86.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.72 76.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.37 -37.55 5.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.075 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -73.68 -46.14 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.0 mt -53.84 -49.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.465 HG21 ' CD2' ' A' ' 19' ' ' LEU . 56.8 mt -61.37 -54.91 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.33 -47.8 46.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.49 -29.61 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.455 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . . . -72.25 -24.45 61.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.9 -46.53 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -52.4 -53.97 38.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -42.5 142.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -100.97 -14.03 18.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.38 -56.37 22.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.512 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.6 ttm180 -92.7 158.67 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -118.96 23.8 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.512 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 5.7 p90 -162.62 166.62 24.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.458 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 35.8 mt -125.86 116.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 1.1 t0 -67.83 127.35 32.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 89' ' ' ILE . 65.8 m-85 -128.38 102.48 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.8 tp -88.21 112.57 22.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.33 163.53 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.434 HG23 ' CD1' ' A' ' 58' ' ' LEU . 6.1 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -107.52 104.26 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.5 tm? -67.83 115.56 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.7 t -110.21 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -79.19 104.6 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.436 ' CG1' ' OG ' ' A' ' 44' ' ' SER . 89.1 t -98.94 104.74 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -76.26 140.06 41.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 70.5 mttt -67.27 86.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -97.03 -50.57 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.67 168.76 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -37.59 74.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.458 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . 9.5 t -161.7 140.62 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.2 tp -54.23 153.27 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.69 89.0 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -135.66 136.28 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.112 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.16 150.78 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.566 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -145.63 177.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -152.16 -177.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.09 -143.19 23.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 121.42 152.63 8.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -34.29 -48.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -42.8 -56.77 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -82.71 170.44 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt-85 -47.21 -34.84 6.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -78.7 112.87 30.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.88 152.34 38.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 143.27 50.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.406 ' C ' HG22 ' A' ' 23' ' ' ILE . 61.0 ttt-85 -118.67 129.62 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.77 125.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -113.26 -31.93 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 39' ' ' ILE . 51.5 m -144.83 137.06 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 ' N ' HG23 ' A' ' 38' ' ' THR . 47.4 mt -118.24 97.92 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.659 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -57.54 120.95 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -53.92 -36.01 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.32 48.62 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 160.37 28.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.436 ' OG ' ' CG1' ' A' ' 12' ' ' VAL . 4.4 p -65.57 -14.23 60.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.85 -46.76 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -85.69 28.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' C ' ' HG2' ' A' ' 52' ' ' LYS . 31.6 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 34.8 mmtt -143.69 168.53 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.3 t -82.65 110.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.94 -12.1 4.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.444 ' HB3' ' CG1' ' A' ' 93' ' ' VAL . 24.2 m170 -59.79 175.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.5 t -135.57 109.17 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CG2' HD13 ' A' ' 65' ' ' LEU . 21.0 mt -72.02 110.67 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.17 -28.41 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -145.81 147.33 31.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.2 t -134.49 109.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 59.93 33.13 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.47 -33.54 6.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.36 135.99 55.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.58 130.71 35.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.458 HD13 ' CG2' ' A' ' 57' ' ' ILE . 73.6 mt -93.19 8.47 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.05 129.0 38.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.97 19.1 71.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HD2' ' CG ' ' A' ' 72' ' ' GLU . 36.1 mmtt -106.45 135.73 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.289 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.26 148.49 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.0 t60 -42.62 -45.0 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -36.6 84.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' CG ' ' HD2' ' A' ' 68' ' ' LYS . 3.7 tp10 -62.44 -44.61 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.28 87.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.72 -33.39 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -80.41 -38.54 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.444 HD13 ' CD2' ' A' ' 65' ' ' LEU . 71.1 mt -64.43 -45.51 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.9 mt -61.46 -49.47 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.53 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.3 -30.0 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.86 -24.3 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 18' ' ' THR . 7.9 t80 -86.79 -41.58 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -55.49 -57.15 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 t -40.6 143.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -93.76 -37.78 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.98 -64.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.5 ttt180 -82.06 126.47 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.04 25.82 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -163.67 166.05 22.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.55 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 66.3 mt -125.82 109.25 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.74 108.88 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.55 ' CZ ' HG23 ' A' ' 89' ' ' ILE . 56.2 m-85 -105.28 103.17 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.9 tp -87.4 107.48 18.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 55' ' ' HIS . 25.2 m -114.6 159.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.8 m -110.9 104.46 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.38 116.61 7.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.7 t -110.11 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 22.9 ttm105 -80.92 112.97 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -105.25 105.0 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -70.99 130.9 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 43.2 mttm -60.86 75.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LYS . 9.6 t -93.74 -42.54 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.78 172.59 5.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.88 -41.29 23.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.1 p -145.75 127.24 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.6 tp -54.46 137.11 43.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.87 87.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.2 pt -141.36 144.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.62 145.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.575 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.1 pt -140.51 176.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 17.1 pt-20 -153.34 -176.2 5.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.35 -146.81 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.11 155.2 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.08 -29.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -62.31 -57.12 12.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 t -77.47 162.49 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' NH1' ' OE1' ' A' ' 31' ' ' GLN . 1.1 tmt_? -44.26 -22.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.421 ' OE1' ' NH1' ' A' ' 30' ' ' ARG . 28.6 tp60 -88.89 110.95 41.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.44 154.59 37.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.45 ' CG ' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.76 145.28 56.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt180 -121.94 131.5 54.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.97 117.5 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 38' ' ' THR . 14.9 m -103.22 -34.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.428 ' N ' HG23 ' A' ' 37' ' ' VAL . 84.6 m -142.52 135.4 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.7 mt -120.88 100.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.52 135.3 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -63.11 -46.4 87.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.46 56.74 5.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.49 155.91 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.3 p -55.85 -35.45 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.29 -47.61 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.926 0.393 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -149.61 167.95 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.2 120.49 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.57 -6.99 10.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -65.21 175.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.8 t -138.04 107.56 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.452 HG21 ' CG2' ' A' ' 60' ' ' VAL . 13.2 mt -72.47 111.31 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -96.76 -26.31 15.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CB ' HD23 ' A' ' 92' ' ' LEU . 37.3 tt0 -147.13 148.29 31.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' CG2' HG21 ' A' ' 57' ' ' ILE . 73.9 t -142.92 114.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.16 31.74 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.85 -30.67 7.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -78.43 117.93 20.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.57 139.1 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 76' ' ' ILE . 49.9 mt -90.25 15.72 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.51 135.46 57.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.69 24.65 60.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -111.64 151.52 28.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' GLU . 10.7 mt-10 -90.73 144.02 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.575 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.3 t60 -38.29 -45.27 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -62.29 -38.7 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' GLU . 2.9 tp10 -66.69 -37.67 85.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.59 -47.76 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.02 -33.85 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -77.94 -43.39 30.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.458 HD12 ' CD2' ' A' ' 65' ' ' LEU . 69.9 mt -58.57 -47.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.2 mt -61.34 -52.78 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.1 -44.82 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.075 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.8 -31.29 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.79 -25.37 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -85.64 -40.33 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -56.86 -58.27 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 t -40.99 145.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -99.75 -25.18 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.57 -63.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.563 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -90.48 144.59 25.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 32.25 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 24.4 p90 -170.36 167.3 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.407 HG13 ' NZ ' ' A' ' 14' ' ' LYS . 88.3 mt -132.38 114.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.91 110.84 8.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.01 104.23 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.452 HD23 ' CB ' ' A' ' 59' ' ' GLU . 10.9 tp -83.49 102.57 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.45 164.62 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 94' ' ' THR . 10.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -136.54 105.96 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.96 122.19 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.23 100.98 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 23.0 ttm105 -75.82 118.0 18.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.04 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 6.3 tmtt? -66.55 153.07 43.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 8.2 mmtp -72.67 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 m -74.15 -54.96 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.98 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.66 -16.34 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -152.37 128.64 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.9 128.94 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.64 85.99 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -137.71 154.75 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.75 145.01 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.52 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -142.76 177.78 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -154.95 -178.69 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.31 -153.63 33.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.73 162.53 10.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.14 -21.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -87.98 27.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' ARG . 11.1 t -166.72 157.76 12.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' THR . 15.1 ttm180 -36.49 -35.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -89.0 109.99 34.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.8 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 3.9 mm? -93.58 151.81 40.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.552 0.691 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 141.63 45.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -117.94 129.38 55.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.6 mt -64.94 114.25 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.0 m -98.62 -32.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.5 m -146.14 139.81 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.6 mt -125.6 97.74 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -52.93 156.53 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -75.13 -43.96 49.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.22 46.7 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.56 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 p -57.37 -44.66 84.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.67 -66.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ASN . 4.3 t-160 -48.11 -56.72 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.17 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.88 112.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.36 -7.38 5.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -67.28 172.75 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.7 t -134.3 109.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 65' ' ' LEU . 23.0 mt -73.66 110.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.47 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.3 mt -97.69 -25.42 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CB ' HD23 ' A' ' 92' ' ' LEU . 34.3 tt0 -148.2 148.84 30.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.45 111.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.75 31.16 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.98 -35.08 5.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.459 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -73.34 115.96 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 t -77.91 132.2 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 57' ' ' ILE . 97.1 mt -83.97 -2.97 57.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 13.9 ptt180 -52.43 122.61 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.03 16.19 77.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -112.41 142.81 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -76.83 150.35 36.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.8 t60 -42.61 -50.0 5.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 5.3 ptt180 -59.75 -37.17 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 6.4 tt0 -64.15 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.54 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -34.65 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -78.29 -45.95 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.451 HD12 ' CD2' ' A' ' 65' ' ' LEU . 64.0 mt -54.72 -45.45 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.7 mt -64.11 -50.55 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.87 -46.19 67.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -56.28 -28.77 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.24 -19.83 56.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 3.7 t80 -93.12 -37.26 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 83' ' ' THR . 7.5 mtmp? -63.72 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 82' ' ' LYS . 5.3 t -35.8 152.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.42 -29.24 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -40.33 -61.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 86' ' ' ARG . 16.6 ttm105 -93.26 136.09 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -104.53 40.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.457 ' CA ' ' HE3' ' A' ' 14' ' ' LYS . 54.1 p90 -174.98 172.66 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 mt -139.91 121.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -83.52 110.85 18.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -103.15 106.7 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 8.8 tp -85.36 109.44 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -117.86 159.86 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -140.24 116.18 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.416 HD12 ' CG ' ' A' ' 90' ' ' ASP . 1.2 tm? -75.88 125.87 29.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.7 t -124.46 104.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -75.72 118.89 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.29 111.94 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 86' ' ' ARG . 30.8 mttt -75.1 58.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -69.3 -38.65 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.13 160.0 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.92 91.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -142.93 132.68 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.9 tp -67.07 113.28 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.43 104.77 2.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 pt -150.72 147.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 144.57 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.64 177.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -158.62 152.6 23.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.35 -149.31 18.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.01 149.03 6.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.6 -32.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.6 -53.85 50.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 t -77.83 166.03 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -46.05 -34.93 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -79.87 116.42 60.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.24 156.05 35.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.465 ' CG ' HD11 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.75 141.06 44.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.358 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -117.96 129.91 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.77 118.69 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 m -104.07 -31.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m -147.82 133.18 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.71 102.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -47.62 122.48 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.417 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 7.4 mpt_? -54.47 -43.65 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.94 33.75 2.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.4 149.96 17.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 m -44.11 -56.02 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -37.95 -47.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.417 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 15.0 t-160 -69.21 -50.58 46.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -149.36 162.64 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -75.79 111.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.24 -3.15 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -69.12 174.94 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.8 t -134.74 109.05 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.8 mt -73.22 110.65 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -97.66 -24.69 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.464 ' CB ' HD21 ' A' ' 92' ' ' LEU . 29.9 tt0 -149.5 149.51 30.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.95 112.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 59.72 31.65 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.1 -33.94 5.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.8 116.25 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 t -75.89 150.08 37.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 73' ' ' ALA . 84.1 mt -101.67 2.24 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.51 127.54 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.98 19.82 79.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -116.25 146.37 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.28 144.74 30.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 1.7 t60 -38.16 -46.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -57.35 -49.61 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -55.32 -35.6 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 65' ' ' LEU . . . -67.63 -48.86 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.02 -38.96 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -74.3 -40.59 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.97 -47.0 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.4 mt -62.29 -53.53 46.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.09 -48.66 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.72 -27.98 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -20.46 59.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.43 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.9 t80 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 83' ' ' THR . 77.0 mttt -64.0 -49.02 74.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.7 t -35.83 136.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -96.0 19.88 10.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.49 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 20.3 ttm-85 -89.7 121.81 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.48 30.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.555 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 4.7 p90 -167.16 178.35 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.533 HG22 ' CZ ' ' A' ' 91' ' ' PHE . 30.8 mt -135.76 111.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.469 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 31.5 m-20 -72.68 103.84 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.533 ' CZ ' HG22 ' A' ' 89' ' ' ILE . 55.8 m-85 -97.6 105.26 17.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 5.8 tp -83.83 109.48 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.43 159.66 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -112.98 107.33 15.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.71 122.42 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -116.42 105.65 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -81.45 113.01 19.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -104.36 117.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -81.94 145.7 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.567 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 7.1 mttp -73.99 62.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 p -70.85 -15.56 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.11 -177.95 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.81 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.0 p -148.2 128.92 14.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.15 142.97 55.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' ' 40' ' ' GLN . . . -131.95 100.36 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 pt -154.75 151.19 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 141.61 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.79 176.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -153.77 172.16 17.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.02 -147.76 17.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.83 143.65 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.517 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.99 -30.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -66.72 -67.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.9 t -54.17 -176.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -61.81 -34.0 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -82.99 116.43 64.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 66' ' ' ARG . 3.1 mm? -103.25 155.27 36.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 140.7 43.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' C ' HG23 ' A' ' 23' ' ' ILE . 78.3 ttt180 -117.67 130.28 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.4 mt -64.41 114.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -101.61 -30.09 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m -150.21 138.87 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.5 mt -115.58 96.35 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.429 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 30.4 mm-40 -51.99 150.85 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -88.34 172.57 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.77 -42.66 2.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.01 172.64 8.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.0 m -64.91 -46.87 79.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.6 -51.34 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -65.24 -59.31 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 ' C ' ' HG2' ' A' ' 52' ' ' LYS . 7.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.1 mmtp -151.91 152.77 32.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.92 123.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.89 -11.08 10.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -62.99 173.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.6 t -136.25 106.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.434 HG23 ' CG2' ' A' ' 60' ' ' VAL . 23.8 mt -71.11 110.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.41 -33.69 12.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -139.91 139.11 36.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' CG2' HG23 ' A' ' 57' ' ' ILE . 96.7 t -128.12 110.46 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.462 ' ND2' ' HD2' ' A' ' 86' ' ' ARG . 12.2 m120 59.47 32.77 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.37 -30.26 9.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.72 132.22 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.7 127.42 35.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.8 mt -93.77 -5.14 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.444 ' N ' HD12 ' A' ' 33' ' ' LEU . 2.1 ttt180 -37.69 -54.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.33 39.9 2.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -121.86 139.52 53.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' HIS . 28.2 mt-10 -81.71 144.68 30.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 9.8 t60 -36.0 -41.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -51.12 65.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.89 -40.29 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.81 -52.86 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.54 -39.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -72.7 -47.18 49.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.75 -51.17 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.74 -50.84 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.58 -46.44 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -55.76 -34.81 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 4.5 t80 -91.97 -39.32 11.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -61.96 -61.51 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.2 t -42.46 153.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 85' ' ' ASP . 1.8 mptp? -104.61 -27.93 11.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 84' ' ' LYS . 15.0 m-20 -36.34 -56.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.462 ' HD2' ' ND2' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -110.14 125.8 53.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.402 ' HA ' ' NZ ' ' A' ' 14' ' ' LYS . 1.2 p-10 -88.42 41.92 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -169.66 -179.63 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.564 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 56.2 mt -145.59 116.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -68.52 125.13 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 89' ' ' ILE . 49.1 m-85 -122.45 102.97 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.3 tp -87.8 108.32 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.88 158.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 93' ' ' VAL . 52.4 m -133.35 107.44 8.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.41 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.1 125.9 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 51' ' ' LEU . 60.3 t -124.08 114.59 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -93.22 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.96 113.32 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -75.69 140.61 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -72.44 66.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -81.77 -46.77 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.3 175.89 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.05 -40.03 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -139.35 146.59 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 tp -69.44 144.8 53.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.87 82.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.5 pt -136.82 136.99 47.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.0 144.98 42.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.535 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -140.88 177.76 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 11.9 pt-20 -159.55 146.53 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.77 -148.1 16.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.433 ' N ' HG23 ' A' ' 29' ' ' THR . . . 131.63 153.67 7.55 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.56 -39.42 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.42 -33.85 68.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 26' ' ' GLY . 14.9 t -95.99 171.94 8.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -52.69 -33.76 49.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -85.18 113.82 52.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.45 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 4.1 mm? -99.25 151.8 37.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.1 44.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' C ' HG23 ' A' ' 23' ' ' ILE . 52.2 ttt180 -120.48 129.82 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.96 120.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.409 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 12.2 m -104.91 -28.63 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 m -153.17 135.68 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.3 99.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -49.07 163.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -87.92 175.64 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.69 31.29 0.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.69 150.04 18.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -47.5 -28.11 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.83 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.57 -54.45 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.405 ' CD1' HG11 ' A' ' 10' ' ' VAL . 2.3 mm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -147.62 142.87 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.97 107.57 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.01 13.77 2.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -90.96 166.08 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.815 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.35 106.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.449 HG21 ' CG2' ' A' ' 60' ' ' VAL . 20.2 mt -73.02 108.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -94.48 -25.91 16.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -151.94 148.02 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' A' ' 57' ' ' ILE . 80.1 t -144.1 123.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 59.0 30.22 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.39 -29.39 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.492 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.3 116.16 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 t -77.41 128.65 34.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 73' ' ' ALA . 81.3 mt -80.22 13.07 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -58.79 132.31 53.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.13 29.46 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -115.87 147.15 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.718 0.294 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.1 mt-10 -83.97 141.41 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.535 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -37.79 -43.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.5 tp10 -60.49 -38.94 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.46 ' CB ' HD23 ' A' ' 65' ' ' LEU . . . -65.68 -54.18 30.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.085 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.29 -37.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -76.03 -44.51 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.458 HD13 ' CD2' ' A' ' 65' ' ' LEU . 81.3 mt -57.39 -49.82 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.3 mt -58.47 -53.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.89 -46.13 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -55.63 -32.19 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.29 -23.15 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CA ' HD12 ' A' ' 89' ' ' ILE . 2.6 t80 -90.04 -39.03 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -54.46 -54.12 45.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 t -45.45 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -111.95 -28.77 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -45.32 -62.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.559 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -84.84 135.58 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -98.36 36.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 52.4 p90 -175.26 -178.09 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.45 HG23 ' CE2' ' A' ' 91' ' ' PHE . 92.3 mt -141.18 115.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 1.1 t0 -67.63 136.53 54.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.49 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 51.1 m-85 -134.49 102.9 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.5 tp -86.44 103.32 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' THR . 34.8 m -113.75 163.13 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.9 m -137.42 106.15 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.153 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -60.58 119.89 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.469 ' N ' HD11 ' A' ' 9' ' ' LEU . 36.5 t -121.76 107.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.553 ' HG3' ' CD2' ' A' ' 88' ' ' TYR . 5.1 ttp-105 -85.34 121.0 27.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.05 97.98 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.48 139.18 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 72.6 mttt -64.26 84.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -105.48 -51.33 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB1' ' CA ' ' A' ' 44' ' ' SER . . . -59.74 169.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.31 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.7 p -138.93 120.81 15.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 tp -41.28 115.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.0 91.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.0 pt -150.72 146.29 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 151.78 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.53 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -142.56 176.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -158.56 158.19 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.86 -142.29 17.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 123.1 145.58 6.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.13 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' GLY . 10.2 t-20 -60.89 -54.5 44.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.0 t -80.59 -178.6 6.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -59.63 -27.84 66.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' NE2' HH21 ' A' ' 35' ' ' ARG . 33.4 tp60 -86.76 112.95 50.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.68 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 3.4 mm? -97.67 155.64 36.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.07 27.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.352 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.431 HH21 ' NE2' ' A' ' 31' ' ' GLN . 21.4 ttm180 -114.06 127.09 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.43 125.76 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 m -107.95 -33.13 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 39' ' ' ILE . 51.5 m -144.18 133.77 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 52' ' ' LYS . 73.4 mt -121.14 97.83 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -51.82 134.14 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -60.27 -25.67 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.15 33.51 6.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.17 16.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.427 ' CA ' ' HB1' ' A' ' 16' ' ' ALA . 35.3 p -52.18 -31.61 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.26 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -72.48 -53.09 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.416 ' C ' HD12 ' A' ' 39' ' ' ILE . 21.5 mtmm -150.92 162.53 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.3 109.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.83 -11.85 5.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.416 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -62.22 171.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG2' ' NE ' ' A' ' 35' ' ' ARG . 85.2 t -136.24 112.04 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 65' ' ' LEU . 10.8 mt -74.88 116.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mt -103.42 -30.49 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -143.21 138.25 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.433 ' CG2' HG23 ' A' ' 57' ' ' ILE . 87.8 t -132.18 122.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.068 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 51.31 33.17 9.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.82 -29.35 9.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.26 138.27 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.75 126.82 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 57' ' ' ILE . 77.6 mt -88.99 5.83 42.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -60.33 126.79 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.35 78.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -114.15 128.75 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.5 148.19 52.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.53 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.3 t60 -42.06 -45.01 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -47.29 85.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -44.99 91.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.08 -48.07 77.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.52 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -76.09 -42.9 45.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.9 mt -56.96 -50.46 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.1 mt -59.96 -53.58 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.21 -44.06 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.76 -31.62 68.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.65 -16.06 62.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -95.08 -41.06 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.02 -58.67 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.435 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.3 t -38.82 141.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -91.7 -33.9 14.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.9 -67.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -63.76 153.89 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.2 13.05 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.553 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 39.0 p90 -157.95 179.32 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 8.2 mt -141.8 114.36 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -69.8 134.45 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 89' ' ' ILE . 61.7 m-85 -134.98 100.96 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.2 tp -89.8 103.22 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.4 m -106.12 163.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -141.65 115.47 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.111 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.09 121.0 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.29 107.32 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -79.22 115.99 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -108.61 103.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -67.39 136.39 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 66.2 mttt -71.68 86.57 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.3 t -86.02 -47.1 9.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.26 -178.15 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 -23.01 27.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -151.99 143.32 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.85 123.67 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.58 97.5 0.76 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 pt -142.5 151.13 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.51 143.63 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.558 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -141.15 177.3 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -158.04 170.55 22.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.54 -140.57 15.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 117.17 158.38 11.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.14 -67.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -38.54 -48.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 30' ' ' ARG . 51.1 p -79.23 148.19 32.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' THR . 18.3 ttm180 -34.76 -41.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -80.2 117.07 65.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.03 154.22 39.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.412 ' CG ' HD13 ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.76 137.91 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt-85 -114.64 130.7 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.36 120.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 m -107.58 -31.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.2 m -145.55 140.57 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -125.39 101.92 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -59.01 142.52 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 16.2 ttm105 -67.81 -35.16 78.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.11 41.94 3.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.73 143.94 15.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.9 p -52.04 -24.51 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.15 61.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.42 -56.33 23.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -140.32 168.04 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.0 t -76.9 119.22 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.44 -5.18 8.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -66.69 175.84 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.4 t -137.89 108.92 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mt -74.09 110.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.88 -26.1 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.449 ' CB ' HD21 ' A' ' 92' ' ' LEU . 18.4 tt0 -146.37 149.94 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.8 t -141.02 107.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 80' ' ' ALA . 3.5 m-20 61.91 31.76 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.0 -35.54 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.1 116.34 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.49 135.88 36.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 76' ' ' ILE . 82.4 mt -88.17 17.95 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.55 132.49 40.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.46 42.65 34.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.428 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -121.15 134.15 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.7 0.286 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLU . 18.0 mt-10 -71.21 139.24 50.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.558 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.4 t60 -35.9 -41.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.44 -48.06 82.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' GLU . 3.5 tp10 -58.28 -38.45 77.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.88 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.91 -36.22 11.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -75.73 -42.56 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.444 HD13 ' CD2' ' A' ' 65' ' ' LEU . 65.4 mt -59.53 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.15 -50.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.2 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.21 -27.16 61.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . . . -76.93 -15.03 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.402 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 5.5 t80 -96.43 -40.29 9.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -56.76 -58.69 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 t -42.06 149.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -100.39 -30.8 11.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.61 -59.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.429 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.3 ttm180 -91.84 131.92 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -101.57 32.95 3.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.429 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 22.8 p90 -169.79 167.94 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 12.8 mt -131.27 112.69 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -72.35 115.81 12.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' A' ' 89' ' ' ILE . 49.9 m-85 -109.73 108.5 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' A' ' 59' ' ' GLU . 8.9 tp -89.82 106.85 18.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.6 m -115.0 159.35 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.0 m -120.82 119.14 31.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.138 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.403 HD21 ' CG ' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -86.37 118.81 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.9 t -115.57 115.76 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -85.84 98.14 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -96.5 108.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.19 152.48 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' CD ' ' CD1' ' A' ' 81' ' ' PHE . 7.5 mtmp? -91.06 83.6 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -97.49 -53.0 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 155.43 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -156.19 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -70.22 136.15 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.48 96.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 pt -144.81 147.55 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.31 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -139.69 177.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -161.38 153.66 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -151.89 18.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' THR . . . 130.76 153.46 7.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -36.9 -55.95 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -47.45 -40.34 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' GLY . 71.9 p -89.01 154.36 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' THR . 48.2 ttt-85 -38.22 -40.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -79.96 116.45 61.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -48.19 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.61 153.07 38.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.471 ' CG ' HD11 ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -115.47 129.56 56.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -65.88 110.16 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.33 -31.77 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.2 m -149.75 139.01 21.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -116.34 106.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -55.26 157.44 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 9.1 tpp180 -74.45 -59.74 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.36 48.86 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 46' ' ' HIS . . . -127.02 138.32 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 p -41.41 -38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.99 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 41' ' ' ARG . 12.0 t-160 -56.44 -61.28 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.415 ' C ' ' HG2' ' A' ' 52' ' ' LYS . 14.8 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.874 0.369 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.415 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.3 mmtp -147.11 157.58 43.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.06 102.2 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.66 -0.45 3.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -66.79 175.12 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.5 t -135.09 106.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' CG2' HD12 ' A' ' 65' ' ' LEU . 14.6 mt -72.15 109.77 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.1 mt -95.97 -26.17 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.471 ' CB ' HD21 ' A' ' 92' ' ' LEU . 33.5 tt0 -147.71 151.25 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.17 116.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 57.36 31.75 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.52 -31.55 7.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.9 117.07 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.24 146.85 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 34' ' ' PRO . 85.5 mt -97.05 0.31 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -58.88 129.57 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.78 -8.44 62.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -92.09 166.15 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -105.28 153.27 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 6.8 t60 -43.18 -46.41 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -60.14 -40.64 90.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.58 -36.09 80.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.27 74.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.98 -36.68 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -74.57 -46.89 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.468 HD11 ' CD2' ' A' ' 65' ' ' LEU . 55.9 mt -55.16 -48.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.1 mt -60.08 -50.28 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.75 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -56.06 -28.84 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.44 -18.35 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD1' ' CD ' ' A' ' 14' ' ' LYS . 4.9 t80 -90.46 -42.53 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -61.78 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 t -38.62 142.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -103.84 29.19 6.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -76.3 -46.85 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.96 150.12 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.48 28.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -160.17 173.3 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 90.0 mt -133.72 112.7 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -64.73 127.77 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -123.6 103.37 8.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 59' ' ' GLU . 12.3 tp -83.69 107.55 16.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.68 150.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.412 HG22 ' CD1' ' A' ' 58' ' ' LEU . 5.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.8 m -107.91 105.55 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -60.33 123.65 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.443 ' N ' HD11 ' A' ' 9' ' ' LEU . 57.4 t -117.82 110.96 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -84.51 112.8 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -106.57 110.65 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -71.6 156.26 39.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.571 ' HD3' ' CE1' ' A' ' 81' ' ' PHE . 15.6 mmtp -75.73 49.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -62.15 -56.55 17.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.75 158.86 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.0 36.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' LEU . 82.2 p -142.12 108.2 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' THR . 15.1 tp -35.14 137.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.6 79.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -139.0 139.34 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.11 142.85 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -139.18 177.98 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 15.9 pt-20 -158.03 172.06 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.4 -141.01 15.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.84 150.59 7.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.23 -55.96 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 23.8 t-20 -48.37 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 35.6 p -80.91 152.45 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 62.4 ttt180 -36.67 -39.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -81.21 116.48 63.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.87 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -97.4 155.15 37.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.463 ' CG ' HD12 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.76 141.47 45.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.439 ' CZ ' ' HA2' ' A' ' 54' ' ' GLY . 41.4 ttt-85 -118.54 130.23 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.87 115.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 5.1 m -99.33 -34.17 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.4 m -148.18 142.72 26.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.4 mt -117.57 100.3 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.71 141.9 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 21.2 mtm105 -62.18 -40.01 94.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.16 45.61 3.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.54 144.16 14.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.473 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.5 p -53.19 -16.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.31 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -42.66 -52.91 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -143.56 165.12 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -77.95 121.72 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.439 ' HA2' ' CZ ' ' A' ' 35' ' ' ARG . . . 122.48 -3.61 10.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -72.28 174.38 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -134.18 108.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.471 HG21 ' CG2' ' A' ' 60' ' ' VAL . 20.8 mt -74.66 112.66 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.32 -35.36 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -136.3 143.11 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 57' ' ' ILE . 75.5 t -139.66 119.72 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.511 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 7.0 t-20 59.65 31.7 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 90.99 -25.29 14.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.4 140.82 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.82 137.56 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 ' CG ' ' A' ' 34' ' ' PRO . 72.2 mt -95.43 -3.17 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -56.4 125.54 22.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.48 15.34 80.0 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -111.04 145.03 39.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.71 0.291 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 26.3 mt-10 -85.5 144.94 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.8 t60 -34.56 -49.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.52 -46.58 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' GLU . 13.0 tt0 -58.15 -44.3 87.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.14 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.13 -36.1 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -74.93 -45.44 42.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.7 mt -54.18 -51.14 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.4 mt -58.28 -54.26 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.96 -44.51 60.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.68 -32.86 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.11 -26.19 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' ' HD3' ' A' ' 14' ' ' LYS . 14.0 t80 -79.35 -47.48 15.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 83' ' ' THR . 39.7 mtmt -60.68 -61.89 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.8 t -33.9 148.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.474 ' CD ' ' O ' ' A' ' 84' ' ' LYS . 5.3 tmtm? -107.13 26.66 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.15 -53.56 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.469 ' HD2' ' ND2' ' A' ' 61' ' ' ASN . 6.1 ptp180 -123.78 157.74 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.415 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -99.4 30.8 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.441 ' O ' ' CD ' ' A' ' 86' ' ' ARG . 42.5 p90 -166.08 172.66 11.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.432 HG13 ' CE ' ' A' ' 14' ' ' LYS . 71.5 mt -137.2 122.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -74.89 131.49 40.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -126.9 108.12 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.9 tp -91.83 110.66 22.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.0 m -116.72 154.05 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' VAL . 89.8 m -131.96 107.87 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -73.93 119.9 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.447 ' N ' HD11 ' A' ' 9' ' ' LEU . 73.6 t -114.11 136.61 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.411 ' N ' HG11 ' A' ' 10' ' ' VAL . 19.5 ttt180 -107.2 100.73 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.34 100.08 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 1.2 tmmm? -67.07 150.16 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 29.1 mttt -76.14 57.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -77.34 -37.75 51.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.01 127.76 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.6 -24.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.4 p -148.38 168.19 23.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.72 132.77 44.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.47 85.17 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 pt -134.95 144.15 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.42 145.31 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -143.39 176.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.415 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.2 pt-20 -158.72 152.25 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.62 -140.77 13.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.72 148.28 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.13 -19.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -73.92 -55.65 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 t -70.12 173.28 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -51.23 -34.34 31.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -82.18 116.44 63.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 3.1 mm? -103.4 153.81 38.24 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.449 ' CG ' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.72 141.46 45.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.39 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.0 ttt180 -119.06 130.14 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.26 120.5 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.415 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 10.0 m -103.9 -30.26 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.6 m -146.8 136.41 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.8 mt -120.42 100.95 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.61 135.61 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.501 ' HA ' ' CG ' ' A' ' 46' ' ' HIS . 44.5 mtt85 -61.86 -38.41 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.75 41.87 2.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.67 146.9 18.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.434 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.3 p -49.85 -31.79 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.47 90.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.05 -59.27 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.402 ' C ' ' HG3' ' A' ' 52' ' ' LYS . 83.6 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.88 0.371 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HG3' ' C ' ' A' ' 51' ' ' LEU . 51.5 mttt -151.56 153.64 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.6 109.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.23 2.18 4.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -76.53 172.63 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.5 t -132.69 110.51 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 HG21 ' CG2' ' A' ' 60' ' ' VAL . 22.2 mt -74.16 111.0 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.3 mt -97.93 -25.94 14.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -147.43 145.94 29.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.46 ' CG2' HG21 ' A' ' 57' ' ' ILE . 86.1 t -144.54 117.52 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.89 30.54 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.08 -28.92 9.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.22 120.64 24.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 142.64 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 51.3 mt -98.52 14.27 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt85 -55.15 -29.1 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.18 35.47 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -123.15 148.75 45.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 72' ' ' GLU . 41.2 mt-10 -91.88 152.36 20.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 14.1 t60 -37.13 -48.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -65.82 -39.88 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' GLU . 4.1 tp10 -63.59 -40.17 96.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' A' ' 65' ' ' LEU . . . -66.19 -50.4 64.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.11 -38.07 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -73.96 -44.73 53.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 65' ' ' LEU . 73.5 mt -54.94 -50.54 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.18 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.26 -46.58 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -55.52 -34.78 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -28.13 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.4 ' CA ' HD11 ' A' ' 89' ' ' ILE . 5.9 t80 -76.29 -48.88 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 83' ' ' THR . 36.8 mtmt -58.7 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' LYS . 7.5 t -34.68 146.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -107.61 23.99 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -75.64 -36.01 60.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -145.5 154.81 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.14 29.46 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 5.1 p90 -161.03 169.06 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.492 HG21 ' CE2' ' A' ' 91' ' ' PHE . 82.9 mt -131.64 120.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.91 125.97 28.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.492 ' CE2' HG21 ' A' ' 89' ' ' ILE . 57.6 m-85 -125.03 104.07 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 13.5 tp -85.02 104.81 15.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 8' ' ' THR . 27.3 m -116.76 155.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -115.5 104.25 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -67.35 128.76 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.452 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 21.7 t -117.59 114.14 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -81.72 100.54 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.8 t -90.99 113.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.37 145.64 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -78.08 48.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -67.55 -44.33 78.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.84 131.29 40.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.38 -45.47 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.4 p -134.41 145.95 49.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.72 129.57 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.27 101.49 0.61 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.5 pt -144.53 153.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.46 141.96 50.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.464 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -141.19 177.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.2 pt-20 -156.03 176.31 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.35 -146.14 17.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.6 153.68 7.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -62.33 -59.79 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -74.77 162.47 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -42.14 -27.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -85.17 113.24 49.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.28 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.64 155.87 36.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.418 ' CG ' HD12 ' A' ' 65' ' ' LEU . 54.3 Cg_endo -69.68 145.9 59.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.741 2.294 . . . . 0.0 112.327 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.409 ' C ' HG23 ' A' ' 23' ' ' ILE . 30.7 ttt-85 -121.97 129.4 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.44 115.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.42 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 19.2 m -102.01 -32.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -146.41 139.13 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -122.51 100.08 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -47.24 153.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 26.5 ttm180 -75.11 -28.99 60.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.04 46.88 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -124.9 131.99 7.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.489 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 22.4 p -34.96 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -65.47 -51.43 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 15.9 t-80 -49.74 -65.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.43 ' C ' ' HD3' ' A' ' 52' ' ' LYS . 67.8 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.869 0.366 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HZ1' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -155.45 147.96 23.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.12 119.56 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.51 -1.39 8.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.435 ' CE1' ' HZ1' ' A' ' 52' ' ' LYS . 26.6 m170 -76.22 171.92 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -133.59 105.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.466 HG23 ' CG2' ' A' ' 60' ' ' VAL . 44.6 mt -67.99 107.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -94.24 -25.87 16.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' CB ' HD22 ' A' ' 92' ' ' LEU . 21.9 tt0 -149.19 144.71 26.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 57' ' ' ILE . 53.3 t -140.48 113.18 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 66.72 30.27 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.24 -27.86 12.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.55 119.03 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 t -78.33 138.71 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 76' ' ' ILE . 95.2 mt -89.32 18.18 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -60.4 137.94 58.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.61 28.96 31.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -115.85 140.7 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.9 mt-10 -77.65 140.27 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 2.0 t60 -35.79 -44.47 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -59.32 -48.91 79.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -57.61 -39.43 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.407 ' CB ' HD11 ' A' ' 65' ' ' LEU . . . -65.25 -51.14 62.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.43 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -77.45 -40.74 42.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.46 HD12 ' CD2' ' A' ' 65' ' ' LEU . 67.5 mt -60.75 -47.05 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.0 mt -61.68 -53.28 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.62 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -55.0 -31.55 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -27.32 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -81.7 -41.15 21.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.39 -49.81 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -48.11 149.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -104.41 27.55 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.77 -51.45 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -135.96 143.12 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -81.26 41.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -173.17 179.39 2.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.486 HG22 ' CE2' ' A' ' 91' ' ' PHE . 89.5 mt -139.12 118.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.454 ' CB ' HD11 ' A' ' 9' ' ' LEU . 38.8 m-20 -77.25 110.04 11.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.486 ' CE2' HG22 ' A' ' 89' ' ' ILE . 41.5 m-85 -102.61 106.32 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 12.0 tp -85.43 103.61 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.03 161.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -53.83 173.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -66.03 -45.58 80.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.39 98.56 1.08 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -74.08 -48.07 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -72.54 103.07 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.03 161.27 10.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 60.9 m -132.4 104.4 6.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 111.165 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.456 ' CD2' ' OD1' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -56.97 124.64 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.441 ' N ' HD11 ' A' ' 9' ' ' LEU . 60.0 t -117.49 119.6 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.6 ttm105 -94.77 117.36 30.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.25 111.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.04 144.67 47.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HG3' ' C ' ' A' ' 87' ' ' ASP . 13.3 mttm -75.51 57.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.7 t -67.69 -44.78 76.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 156.64 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.15 -25.19 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.6 p -150.65 131.74 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 tp -72.35 129.34 38.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.14 97.83 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 pt -139.53 144.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.68 141.44 52.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.518 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.6 pt -140.37 177.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -156.28 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -141.99 15.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 122.69 153.26 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.33 -63.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -41.4 -49.78 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 61.9 p -75.48 149.87 38.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 14.1 ptt85 -36.15 -41.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -79.99 116.52 61.83 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.578 0.704 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -96.88 149.96 36.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 138.98 39.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 58.4 ttt85 -116.22 130.79 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -64.1 116.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.7 m -101.45 -32.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -144.76 135.36 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 73.9 mt -118.29 101.78 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -49.74 148.27 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -67.97 -54.44 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.41 48.9 3.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.88 136.23 9.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 m -38.25 -53.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.02 -61.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -52.78 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -42.29 -30.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.2 t -74.4 -48.85 25.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.7 -30.5 4.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.529 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -49.86 -42.25 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.2 mt -88.39 158.63 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' H ' ' CE1' ' A' ' 55' ' ' HIS . 35.0 mtpt -136.39 167.13 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.8 t -77.6 113.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.49 ' O ' ' CZ ' ' A' ' 35' ' ' ARG . . . 127.8 11.16 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 20.4 m170 -84.41 173.49 10.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.3 t -134.54 109.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.443 HG23 ' CG2' ' A' ' 60' ' ' VAL . 12.4 mt -74.12 112.64 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.4 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.7 mt -101.02 -25.56 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' CB ' HD23 ' A' ' 92' ' ' LEU . 29.3 tt0 -150.74 136.66 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.443 ' CG2' HG23 ' A' ' 57' ' ' ILE . 56.4 t -130.85 112.42 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.7 29.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -33.39 6.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.79 115.95 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.59 139.72 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 76' ' ' ILE . 86.8 mt -94.57 16.94 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.37 131.05 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.404 ' C ' ' HB3' ' A' ' 27' ' ' ALA . . . 68.55 8.28 55.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -98.77 146.52 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.1 mt-10 -82.92 141.83 31.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.518 ' CE1' HG13 ' A' ' 23' ' ' ILE . 2.0 t60 -37.1 -45.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -54.36 47.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.51 -35.66 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.62 -51.56 40.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.1 -37.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -73.36 -42.87 61.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 HD11 ' CD2' ' A' ' 65' ' ' LEU . 31.2 mt -57.68 -49.37 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.69 -51.54 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.33 -44.32 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.58 -33.37 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.53 -22.38 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -84.0 -41.99 16.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -56.94 -59.24 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 t -39.71 157.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' ASP . 67.9 mttt -113.07 -28.98 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 84' ' ' LYS . 9.2 m-20 -35.98 -50.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -114.39 140.47 48.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.411 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 5.0 p-10 -100.47 39.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.425 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 4.2 p90 -167.15 172.71 9.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.411 HG22 ' CZ ' ' A' ' 91' ' ' PHE . 6.6 mt -133.9 125.58 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.456 ' OD1' ' CD2' ' A' ' 9' ' ' LEU . 1.0 OUTLIER -77.29 127.26 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.411 ' CZ ' HG22 ' A' ' 89' ' ' ILE . 56.3 m-85 -126.12 103.96 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.457 HD23 ' CB ' ' A' ' 59' ' ' GLU . 9.0 tp -87.85 109.82 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -119.48 161.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.465 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 1.9 t -120.28 -20.26 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.568 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 2.4 mt-10 59.3 45.26 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.465 ' CZ ' HG21 ' A' ' 94' ' ' THR . 11.9 m-85 -37.68 145.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -90.1 81.4 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 99' ' ' GLY . 78.5 p -75.9 129.98 37.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' SER . . . 36.04 80.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -17.84 37.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -42.57 -50.04 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.6 m -105.38 -64.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 m -62.48 120.2 10.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -103.77 166.85 10.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.16 -86.42 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 p -143.92 134.62 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -86.6 145.94 26.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.31 134.62 6.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -124.89 107.25 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.8 127.7 33.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.5 t -118.22 105.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -80.03 112.18 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 74.0 t -104.11 108.01 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.48 139.06 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 46.9 mttt -76.59 59.84 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -76.49 -40.72 49.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.36 -177.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.09 -40.9 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -142.06 165.55 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -93.71 113.42 25.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.11 104.88 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.4 pt -152.53 150.56 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.58 147.03 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -145.88 176.53 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.425 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 16.1 pt-20 -154.49 177.77 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.99 -147.71 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 135.95 151.59 6.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -18.77 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -86.27 14.72 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -148.42 174.83 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -48.55 -35.0 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -89.73 109.89 35.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.596 0.712 . . . . 0.0 110.956 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 -45.74 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 3.0 mm? -102.56 153.05 38.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.09 34.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' HG23 ' A' ' 23' ' ' ILE . 44.9 ttt-85 -115.11 130.09 56.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 58.3 mt -66.44 115.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.425 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 13.5 m -100.32 -30.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -148.51 135.08 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.18 103.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.11 128.78 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.455 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 22.8 ttt-85 -85.74 79.32 9.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.32 39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.13 -159.52 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 88.8 p -72.37 -36.65 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' HIS . . . -67.3 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 8.0 t-160 -37.88 -56.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -48.51 -43.73 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' GLN . 5.6 t -75.58 68.72 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.78 -25.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' CYS . 32.0 tp60 -45.52 -41.91 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.9 mt -80.36 164.77 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -150.27 164.65 35.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.83 115.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.21 -0.1 7.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -73.79 173.36 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 67.6 t -135.66 106.88 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' ' CG2' ' A' ' 60' ' ' VAL . 29.4 mt -73.42 110.2 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 mt -93.52 -35.82 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -139.59 142.72 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.46 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 98.0 t -136.46 112.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.8 m120 61.36 33.33 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.66 -30.57 7.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.7 131.85 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.448 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 78.8 mt -110.54 1.78 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -48.36 -29.65 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.86 32.4 3.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 57.3 mmtt -116.18 147.02 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' GLU . 30.8 mt-10 -89.72 145.11 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.473 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 9.1 t60 -34.37 -42.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -67.8 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.0 tt0 -59.4 -39.93 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.77 -38.32 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.19 -46.25 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 79.4 mt -53.44 -50.09 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.35 -49.65 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.59 -44.87 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -56.97 -31.77 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -15.22 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -94.43 -40.1 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -59.16 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 t -40.67 147.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ASP . 3.9 tmtm? -96.66 -38.26 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' LYS . 26.1 t70 -37.86 -59.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -88.65 129.46 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -101.79 36.34 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.456 ' N ' ' HE3' ' A' ' 14' ' ' LYS . 54.6 p90 -173.73 -179.11 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.557 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 74.8 mt -144.98 118.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -74.39 128.68 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.557 ' CZ ' HG23 ' A' ' 89' ' ' ILE . 56.3 m-85 -122.88 103.3 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.8 tp -87.94 102.32 14.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.7 m -111.37 162.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 96' ' ' PHE . 10.0 t -146.19 106.11 4.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -61.59 81.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' THR . 17.0 m-85 -57.79 94.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -137.54 128.35 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 t -125.84 90.6 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.34 167.94 13.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -36.73 10.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.314 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 p -128.6 111.53 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 103' ' ' GLY . 26.6 p -115.24 148.43 39.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 102' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p 38.73 41.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -52.94 121.4 7.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.23 -125.3 6.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -104.85 111.08 23.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -104.23 134.03 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.17 152.53 8.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -132.38 101.86 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -61.16 125.47 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.435 ' N ' HD12 ' A' ' 9' ' ' LEU . 24.1 t -117.47 116.68 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -85.27 103.38 14.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.6 t -90.44 111.94 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.49 141.26 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 60.5 mttt -76.61 49.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -67.04 -46.71 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.85 153.15 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.09 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -125.18 143.12 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.23 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.41 87.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 27.6 pt -149.25 144.32 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.115 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.13 140.18 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.567 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.73 176.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' CD ' HG11 ' A' ' 37' ' ' VAL . 26.5 pt-20 -156.09 153.61 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 114.93 -147.45 18.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 138.28 147.83 5.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.86 -24.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLY . 16.7 t-20 -69.11 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 30' ' ' ARG . 3.6 t -60.88 178.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' OG1' ' A' ' 29' ' ' THR . 20.8 ttm-85 -57.65 -29.19 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -85.66 116.38 65.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.519 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.8 mm? -101.06 154.84 36.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.41 47.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' C ' HG22 ' A' ' 23' ' ' ILE . 43.4 ttt180 -120.14 130.15 54.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -64.91 122.59 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.403 HG11 ' CD ' ' A' ' 24' ' ' GLU . 7.8 m -106.57 -30.71 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -145.86 139.78 26.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' CD1' HG23 ' A' ' 53' ' ' VAL . 70.0 mt -121.75 100.51 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -43.77 137.63 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 31.2 ttt180 -66.68 -56.31 11.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.99 51.27 2.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.21 172.2 22.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -70.74 -50.91 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.3 -50.14 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.561 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.6 t-160 -61.15 -57.8 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -43.14 -48.87 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.7 m -79.62 87.3 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.67 -20.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.458 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -43.21 -26.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 23.3 mt -110.37 164.77 12.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -150.17 155.49 39.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 39' ' ' ILE . 54.4 t -66.98 107.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.55 -7.04 3.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -67.7 174.13 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.404 HG11 ' CD2' ' A' ' 58' ' ' LEU . 94.9 t -135.27 108.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.0 mt -72.47 116.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' CD2' HG11 ' A' ' 56' ' ' VAL . 2.0 mt -103.1 -27.62 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -147.26 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.41 111.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.467 ' ND2' ' HB3' ' A' ' 80' ' ' ALA . 7.7 m-20 59.32 35.22 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.38 -30.96 7.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.0 131.55 45.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.05 145.07 26.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 91.7 mt -112.08 6.29 19.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.422 ' N ' HD13 ' A' ' 33' ' ' LEU . 11.9 ptt180 -50.45 -35.6 29.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.09 38.97 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.543 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -121.53 148.01 45.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' GLU . 27.4 mt-10 -93.75 146.51 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.567 ' CE1' HG13 ' A' ' 23' ' ' ILE . 8.3 t60 -35.96 -42.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.425 ' CD ' ' C ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -66.82 -47.02 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.7 tt0 -61.7 -41.59 97.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.39 -47.63 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.03 -38.03 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -73.87 -45.67 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.9 mt -54.44 -49.16 67.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.8 mt -59.54 -49.96 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.09 -45.2 75.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.93 -32.33 65.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.467 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . . . -70.0 -29.55 66.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.79 -41.53 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.22 -57.76 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -38.67 149.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -105.74 25.59 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.21 -66.58 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.504 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.2 ptp180 -113.04 144.91 41.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -87.03 38.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.504 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 14.0 p90 -170.33 -179.53 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 91' ' ' PHE . 49.4 mt -142.13 121.42 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.91 118.5 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.565 ' CE2' HG22 ' A' ' 89' ' ' ILE . 55.9 m-85 -116.36 106.34 13.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.8 tp -86.67 104.04 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.57 162.45 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.5 t -149.96 105.4 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.7 91.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -61.42 150.57 35.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -121.77 120.86 35.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.7 p -135.46 126.43 27.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.15 84.69 0.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.431 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.68 10.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.2 p 45.98 51.91 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.4 p -137.71 157.71 45.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -167.43 157.7 10.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -49.97 -52.7 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.74 -130.17 10.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -138.7 170.27 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -96.83 129.52 44.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.85 144.72 4.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -116.29 115.43 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.159 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.56 119.51 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 11' ' ' ARG . 49.0 t -108.36 138.65 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' N ' HG13 ' A' ' 10' ' ' VAL . 5.7 ttp-105 -108.05 109.01 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.97 108.35 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.0 145.04 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.2 mttt -76.43 54.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -59.94 -41.86 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.13 177.65 8.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.32 20.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.8 p -140.45 153.29 46.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 tp -84.86 140.59 31.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.546 ' C ' ' NE2' ' A' ' 40' ' ' GLN . . . -138.14 88.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.556 ' N ' HE22 ' A' ' 40' ' ' GLN . 6.2 pt -139.79 149.34 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.87 142.69 51.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.519 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -140.4 176.44 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -158.43 151.52 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.97 -144.4 16.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.14 153.74 8.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.5 -58.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -46.85 -48.37 21.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ARG . 44.7 p -76.18 150.78 37.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' THR . 7.2 tpt180 -35.88 -44.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -77.38 116.47 58.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.74 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.03 155.24 36.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 138.56 38.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' C ' HG21 ' A' ' 23' ' ' ILE . 22.9 ttp180 -117.33 126.36 52.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.5 mt -64.67 115.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 m -101.65 -30.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.2 m -148.37 138.1 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.5 mt -121.38 96.88 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.556 HE22 ' N ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -53.11 139.54 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.98 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.488 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 44.1 mtp180 -78.13 167.69 21.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.0 -37.27 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.2 -171.93 2.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.4 p -77.69 -39.48 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . . . -51.15 -59.45 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.488 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.8 t-160 -56.02 -45.94 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -44.3 -51.27 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.2 m -82.58 85.44 6.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.49 -23.51 0.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -40.88 -53.35 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.9 mt -75.38 166.85 22.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -151.49 158.65 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.65 116.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.96 4.18 8.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -76.32 176.83 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.1 t -136.25 106.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.47 HG23 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -73.95 110.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.422 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.2 mt -97.32 -26.07 15.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' CB ' HD23 ' A' ' 92' ' ' LEU . 22.4 tt0 -147.19 144.41 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.47 ' CG2' HG23 ' A' ' 57' ' ' ILE . 46.0 t -139.9 116.95 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 60.43 31.54 20.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.8 -31.28 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.16 117.12 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.49 132.82 39.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 76' ' ' ILE . 56.7 mt -84.4 14.34 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -60.93 134.1 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.08 23.95 62.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -112.21 141.46 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.1 mt-10 -78.64 141.2 38.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.519 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.7 t60 -34.44 -46.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.04 -55.51 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.86 -38.51 35.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.51 -49.33 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.33 -33.82 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -78.03 -43.6 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.453 HD11 ' CD2' ' A' ' 65' ' ' LEU . 47.0 mt -57.76 -47.03 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.6 mt -60.33 -52.57 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.96 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.65 -29.32 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.43 -20.77 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.418 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 5.9 t80 -86.99 -40.93 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' THR . 35.7 mttm -61.66 -63.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' LYS . 12.8 t -36.62 149.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -107.13 29.77 6.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -77.43 -49.75 14.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -135.77 144.96 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.26 39.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 86' ' ' ARG . 25.3 p90 -169.29 174.37 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 94.9 mt -135.36 119.22 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.85 114.38 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -111.48 104.16 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.446 HD23 ' CB ' ' A' ' 59' ' ' GLU . 10.2 tp -83.99 112.17 19.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.92 163.87 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t -125.5 -15.33 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 96' ' ' PHE . 2.5 tm-20 43.91 52.27 6.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 95' ' ' GLU . 16.2 m-85 -37.66 139.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -54.83 -52.08 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -95.58 137.78 34.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.35 83.07 0.12 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 147.19 62.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -126.93 169.0 13.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.9 t -132.05 104.84 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -63.26 -42.66 99.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -81.05 91.65 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.98 171.4 16.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -154.04 128.3 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -88.19 153.52 21.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.18 150.3 10.1 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.45 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 93' ' ' VAL . 99.1 m -129.32 110.02 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -73.99 121.33 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.403 ' N ' HD11 ' A' ' 9' ' ' LEU . 59.2 t -115.55 122.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -96.72 102.12 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -97.09 115.7 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -76.24 132.99 40.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.566 ' HD2' ' CD1' ' A' ' 81' ' ' PHE . 4.8 mtmp? -75.83 51.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -77.72 -29.97 51.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 155.69 39.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.78 75.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -149.81 151.49 33.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 21' ' ' ILE . 2.1 tt -82.34 144.03 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.68 87.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 19' ' ' LEU . 24.6 pt -135.21 132.4 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.7 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.476 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.4 pt -144.38 175.9 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -151.65 -179.95 7.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 -157.38 41.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' O ' ' CG2' ' A' ' 29' ' ' THR . . . 142.53 153.82 6.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.76 -24.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' GLY . 27.6 t-20 -90.26 40.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' A' ' 26' ' ' GLY . 10.6 t -174.92 162.6 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HD3' ' C ' ' A' ' 30' ' ' ARG . 2.7 tmt_? -37.45 -35.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -93.12 112.14 54.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.9 mm? -99.3 154.8 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.47 ' CG ' HD11 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.77 139.81 41.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' HG23 ' A' ' 23' ' ' ILE . 46.3 ttp85 -117.91 127.04 53.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.89 112.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.57 -29.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.449 HG21 ' N ' ' A' ' 39' ' ' ILE . 16.5 m -147.1 141.63 26.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.449 ' N ' HG21 ' A' ' 38' ' ' THR . 79.5 mt -122.77 97.8 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -51.04 129.21 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -60.39 144.39 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . 91.12 -51.55 3.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' GLY . . . -35.06 147.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 p -45.59 -27.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ASN . 3.2 t-160 -60.85 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' HIS . 41.5 t-20 -35.89 -52.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.26 -45.13 89.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.12 -25.6 6.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.539 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -45.45 -30.66 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -93.04 166.88 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -147.51 141.24 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.02 113.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.54 0.37 6.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.02 176.35 8.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.1 t -137.65 109.53 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.508 ' CG2' ' CG2' ' A' ' 60' ' ' VAL . 28.9 mt -74.15 109.16 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.402 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.1 mt -95.2 -25.98 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CB ' HD22 ' A' ' 92' ' ' LEU . 29.7 tt0 -150.42 144.09 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.508 ' CG2' ' CG2' ' A' ' 57' ' ' ILE . 88.6 t -141.36 124.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 57.33 31.01 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.8 -29.25 8.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -78.49 117.85 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -79.76 143.16 34.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.522 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 80.7 mt -99.68 10.21 41.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 67' ' ' GLY . 3.4 ppt_? -43.93 -37.21 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 66' ' ' ARG . . . -124.97 43.24 1.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -125.48 142.28 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 23.6 mt-10 -84.24 144.9 28.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 7.2 t60 -34.56 -41.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 3.1 tmt_? -67.85 -50.13 58.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 69' ' ' GLU . 7.1 tp10 -57.59 -37.51 73.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' CB ' HD13 ' A' ' 65' ' ' LEU . . . -67.02 -54.47 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.76 -35.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.69 -45.81 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.417 HD12 ' CD2' ' A' ' 65' ' ' LEU . 61.3 mt -54.28 -49.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.1 mt -60.53 -49.35 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.19 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -58.16 -30.9 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.84 -23.8 62.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CD1' ' HD2' ' A' ' 14' ' ' LYS . 2.9 t80 -81.0 -40.41 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -59.02 -60.77 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -38.74 145.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -100.59 -30.79 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -39.45 -59.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.411 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 38.7 ttm-85 -89.5 140.17 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.66 25.98 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.411 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 33.6 p90 -168.09 172.43 8.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.535 HG21 ' CE2' ' A' ' 91' ' ' PHE . 87.6 mt -129.78 116.03 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.78 130.33 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.535 ' CE2' HG21 ' A' ' 89' ' ' ILE . 50.4 m-85 -128.32 102.75 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 59' ' ' GLU . 12.1 tp -84.25 104.84 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 8' ' ' THR . 33.6 m -114.31 157.44 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.434 HG22 ' CE2' ' A' ' 96' ' ' PHE . 10.0 t -141.95 106.51 4.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.52 80.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.434 ' CE2' HG22 ' A' ' 94' ' ' THR . 16.9 m-85 -59.08 90.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -38.79 115.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.1 p -174.51 136.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -135.01 146.18 18.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 128.05 15.51 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.629 2.22 . . . . 0.0 112.397 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.1 t -120.31 94.65 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.3 m -134.13 133.36 40.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -131.87 42.03 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -150.42 151.36 32.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.82 48.75 63.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -153.62 147.84 25.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -139.12 107.2 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.28 132.74 1.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.451 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 m -111.45 107.3 16.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.408 HD12 ' CG ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -61.01 121.72 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.8 t -113.25 106.18 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 ttp-105 -83.1 107.03 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.83 99.4 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -69.02 142.18 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.3 mttt -68.98 83.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -93.63 -46.62 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -175.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.21 -40.36 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -153.25 131.78 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.9 140.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.54 99.54 0.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 pt -146.14 148.39 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.09 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.68 149.75 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.418 HG23 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -144.16 175.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.462 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 18.4 pt-20 -155.84 146.6 22.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 -154.76 20.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.07 142.37 3.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -64.09 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 p -56.26 174.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -51.56 -48.91 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -76.5 116.53 57.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.701 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.524 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.9 mm? -99.64 154.55 37.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 134.21 27.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.42 ' NE ' ' CG2' ' A' ' 56' ' ' VAL . 21.5 ttm180 -114.39 127.36 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.07 124.51 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 10.1 m -109.56 -30.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -150.12 134.71 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 64.5 mt -112.96 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -46.21 137.67 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.446 HH21 ' CD2' ' A' ' 46' ' ' HIS . 2.2 tpm_? -65.3 -46.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.93 65.71 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.63 159.76 28.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -56.34 -49.11 75.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.32 -38.05 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.446 ' CD2' HH21 ' A' ' 41' ' ' ARG . 10.4 t-160 -76.77 -48.63 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -48.17 -58.51 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 49' ' ' GLY . 21.7 p -50.46 -46.71 56.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.415 ' N ' ' SG ' ' A' ' 48' ' ' CYS . . . 81.91 -34.16 2.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -42.19 -47.29 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.956 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.2 mt -74.72 162.95 28.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -148.61 156.46 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 95.6 t -66.08 118.72 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.16 -4.93 7.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -73.1 170.72 14.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' CG2' ' NE ' ' A' ' 35' ' ' ARG . 87.7 t -136.09 112.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.463 HG21 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -75.57 113.38 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mt -98.0 -30.15 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.75 140.6 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.463 ' CG2' HG21 ' A' ' 57' ' ' ILE . 85.3 t -131.39 116.8 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.64 32.69 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.25 -32.47 6.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.38 128.95 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -85.54 143.07 28.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.524 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 87.6 mt -109.33 5.36 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -50.02 -38.74 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.82 42.15 1.85 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -124.9 146.97 49.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.9 mt-10 -90.49 143.9 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 69' ' ' GLU . 12.8 t60 -34.69 -41.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -49.25 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -59.06 -39.86 83.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.38 63.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.91 -39.83 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -71.97 -46.04 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.7 mt -53.92 -50.42 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.2 -50.61 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.49 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -56.68 -31.59 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.53 -28.13 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -79.61 -44.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' THR . 62.8 mttt -58.87 -60.52 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' LYS . 9.8 t -36.97 145.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -102.02 -18.13 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -52.86 -54.93 27.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 25.0 ttm180 -104.35 118.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.08 41.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 43.0 p90 -174.93 175.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.552 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 62.1 mt -137.44 121.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.408 ' CG ' HD12 ' A' ' 9' ' ' LEU . 25.6 m-20 -81.15 121.55 26.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.552 ' CZ ' HG23 ' A' ' 89' ' ' ILE . 50.3 m-85 -116.86 105.71 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 25.2 tp -87.84 110.73 20.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.45 159.99 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.6 t -125.33 -8.91 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 96' ' ' PHE . 19.8 tt0 42.5 49.9 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 95' ' ' GLU . 18.7 m-85 -36.33 125.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -115.66 94.89 4.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -70.57 -56.48 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 167.41 -154.63 25.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 90.99 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.75 2.3 . . . . 0.0 112.329 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.1 m -65.57 146.16 55.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 p -47.03 -47.69 22.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -159.15 113.58 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -82.42 137.02 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.4 -66.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -69.36 98.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 m -48.39 141.77 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.36 161.66 11.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.6 m -134.77 124.47 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.71 119.81 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.3 t -110.76 110.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -83.5 106.35 15.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.65 111.83 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 145.13 43.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 30.5 mttm -78.2 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -59.2 -45.97 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.68 174.74 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.69 -23.81 29.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 t -154.19 130.89 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.89 109.66 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.93 111.1 3.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.9 pt -149.51 155.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.149 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.88 150.89 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.415 HG21 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -145.7 175.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.407 ' CG ' HG13 ' A' ' 37' ' ' VAL . 19.4 pt-20 -156.55 137.83 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' O ' ' CB ' ' A' ' 70' ' ' HIS . . . 135.54 -158.02 23.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 145.52 145.4 4.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.01 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLY . 5.4 t-20 -72.54 -63.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.8 t -62.65 172.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -50.54 -34.02 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.5 tp60 -85.06 116.32 64.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -47.31 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.544 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.8 mm? -103.68 155.03 37.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 140.08 41.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' C ' HG21 ' A' ' 23' ' ' ILE . 35.5 ttp180 -117.49 127.87 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.1 mt -63.71 112.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.407 HG13 ' CG ' ' A' ' 24' ' ' GLU . 10.6 m -98.72 -30.47 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 100.0 m -147.97 136.33 21.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 65.3 mt -120.09 104.35 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -52.47 130.87 32.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -64.29 -40.52 96.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.97 55.78 4.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.43 -175.33 20.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -36.1 38.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 -77.67 -48.66 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -49.5 -62.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.8 p -44.32 -47.01 9.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.11 -26.28 4.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -47.78 -39.8 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.14 170.62 11.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -148.52 164.35 34.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.5 t -77.08 108.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.94 4.75 3.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.533 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 19.4 m170 -78.01 177.07 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.5 t -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.3 mt -74.51 113.22 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.434 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.7 mt -100.07 -25.87 14.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.459 ' CB ' HD22 ' A' ' 92' ' ' LEU . 43.8 tt0 -147.27 144.52 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.8 t -138.25 109.58 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.4 30.91 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -34.87 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.52 116.44 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.0 t -81.76 140.1 34.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 61.3 mt -95.62 14.59 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -51.84 -39.89 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.25 34.34 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -119.76 147.83 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' HIS . 29.6 mt-10 -90.09 145.99 24.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' GLU . 7.1 t60 -34.94 -44.72 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -50.68 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' GLU . 4.3 tp10 -56.8 -35.36 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.432 ' CB ' HD23 ' A' ' 65' ' ' LEU . . . -66.96 -50.97 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.38 -35.32 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -75.93 -46.09 31.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.9 -48.72 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.0 mt -59.57 -52.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.58 68.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.59 -30.13 68.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.28 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.485 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 4.0 t80 -94.61 -38.08 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' THR . 20.4 mttp -63.13 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' LYS . 10.0 t -36.56 143.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -91.89 -30.3 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -43.34 -63.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.497 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.2 ttm105 -90.19 129.47 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.45 24.48 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.497 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 10.5 p90 -162.11 173.72 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.495 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 43.6 mt -131.41 122.52 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -81.77 118.88 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.495 ' CZ ' HG21 ' A' ' 89' ' ' ILE . 55.9 m-85 -114.4 107.9 16.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.459 HD22 ' CB ' ' A' ' 59' ' ' GLU . 6.2 tp -89.63 107.73 19.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.04 161.19 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 t -118.14 -19.02 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.533 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 2.6 mt-10 55.1 53.98 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -40.22 147.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -73.42 82.87 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.8 t -45.41 166.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.3 -81.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.12 25.73 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 p -71.04 141.05 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.1 m -136.9 141.8 42.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -131.41 126.87 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -66.22 -53.12 40.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.48 -144.27 17.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -107.06 131.25 54.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -58.52 114.41 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.93 153.66 8.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -127.33 114.84 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -78.84 121.62 25.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.406 ' N ' HD13 ' A' ' 9' ' ' LEU . 38.4 t -119.69 106.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.499 ' HG3' ' CD1' ' A' ' 88' ' ' TYR . 29.6 ttm180 -85.36 102.11 13.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -94.05 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.49 145.91 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 40.1 mttm -75.4 62.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -48.47 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.86 168.21 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.75 -29.32 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.66 153.61 28.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD2' HG21 ' A' ' 77' ' ' ILE . 16.5 tp -73.89 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.96 99.14 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.3 pt -150.66 147.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.07 49.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.417 HG21 ' C ' ' A' ' 35' ' ' ARG . 1.1 pt -143.83 176.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.411 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.5 pt-20 -159.65 144.6 15.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.97 -146.02 17.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.28 152.45 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.97 -47.05 16.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.325 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -56.53 -45.8 80.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ARG . 71.1 p -76.72 155.42 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' THR . 11.9 ttm180 -36.16 -51.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.24 116.43 46.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 2.8 mm? -100.65 150.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 136.48 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' HG21 ' A' ' 23' ' ' ILE . 32.7 ttt180 -114.17 130.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.48 117.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.411 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 16.1 m -101.61 -33.78 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.9 m -142.34 135.88 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.4 mt -119.5 101.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.07 145.57 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -70.0 -50.0 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.33 47.9 3.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.75 148.35 16.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.1 p -52.44 -25.72 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.59 -58.25 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.409 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 13.4 t-160 -48.17 -63.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' HIS . 71.8 m-80 -36.65 -50.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.4 t -57.71 -51.2 70.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.62 -29.61 3.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -46.78 -28.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 mt -94.52 168.92 10.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -148.76 161.08 42.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.9 t -73.89 108.63 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.45 -4.07 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -71.12 170.22 13.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.454 HG11 ' CD2' ' A' ' 58' ' ' LEU . 79.7 t -131.63 110.1 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.465 HG21 ' CG2' ' A' ' 60' ' ' VAL . 28.3 mt -72.96 109.9 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.454 ' CD2' HG11 ' A' ' 56' ' ' VAL . 1.1 mt -96.79 -28.09 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -144.01 140.08 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.465 ' CG2' HG21 ' A' ' 57' ' ' ILE . 73.0 t -132.96 124.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.455 ' ND2' ' HB3' ' A' ' 80' ' ' ALA . 2.6 m120 49.44 31.78 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.04 -32.29 7.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' N ' ' CD2' ' A' ' 63' ' ' LEU . 2.7 mm? -64.95 152.43 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.89 146.91 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.483 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 79.4 mt -115.7 4.79 14.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -51.91 -38.66 57.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.72 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -121.65 143.93 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.4 mt-10 -86.24 145.35 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 69' ' ' GLU . 8.1 t60 -34.28 -43.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -65.0 -47.16 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.6 tp10 -57.9 -43.97 86.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.62 -49.72 76.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.37 -37.55 5.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.075 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -73.68 -46.14 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.0 mt -53.84 -49.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.465 HG21 ' CD2' ' A' ' 19' ' ' LEU . 56.8 mt -61.37 -54.91 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.33 -47.8 46.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.49 -29.61 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.455 ' HB3' ' ND2' ' A' ' 61' ' ' ASN . . . -72.25 -24.45 61.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.9 -46.53 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -52.4 -53.97 38.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -42.5 142.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -100.97 -14.03 18.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.38 -56.37 22.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.512 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.6 ttm180 -92.7 158.67 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -118.96 23.8 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.512 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 5.7 p90 -162.62 166.62 24.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.458 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 35.8 mt -125.86 116.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 1.1 t0 -67.83 127.35 32.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 89' ' ' ILE . 65.8 m-85 -128.38 102.48 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.8 tp -88.21 112.57 22.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.33 163.53 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.434 HG23 ' CD1' ' A' ' 58' ' ' LEU . 6.1 t -151.47 106.74 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.15 83.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -56.71 140.0 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -49.68 -55.6 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.4 t -58.99 145.81 40.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 130.75 -78.55 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -49.7 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 98.2 p -43.6 128.72 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t -79.78 127.08 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -156.68 142.22 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.355 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -141.31 138.45 33.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.88 46.22 2.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 p -90.22 154.78 19.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 m -151.38 134.52 15.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.01 126.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -107.52 104.26 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.419 HD13 ' C ' ' A' ' 9' ' ' LEU . 1.5 tm? -67.83 115.56 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.7 t -110.21 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -79.19 104.6 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.436 ' CG1' ' OG ' ' A' ' 44' ' ' SER . 89.1 t -98.94 104.74 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -76.26 140.06 41.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 70.5 mttt -67.27 86.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -97.03 -50.57 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.67 168.76 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -37.59 74.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.458 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . 9.5 t -161.7 140.62 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.2 tp -54.23 153.27 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.69 89.0 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 21' ' ' ILE . 0.1 OUTLIER -135.66 136.28 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.112 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -107.16 150.78 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.566 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -145.63 177.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -152.16 -177.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.09 -143.19 23.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.46 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 121.42 152.63 8.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -34.29 -48.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -42.8 -56.77 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.7 t -82.71 170.44 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt-85 -47.21 -34.84 6.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -78.7 112.87 30.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.88 152.34 38.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 143.27 50.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.406 ' C ' HG22 ' A' ' 23' ' ' ILE . 61.0 ttt-85 -118.67 129.62 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -62.77 125.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -113.26 -31.93 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.466 HG23 ' N ' ' A' ' 39' ' ' ILE . 51.5 m -144.83 137.06 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 ' N ' HG23 ' A' ' 38' ' ' THR . 47.4 mt -118.24 97.92 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.659 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -57.54 120.95 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -53.92 -36.01 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.32 48.62 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 160.37 28.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.436 ' OG ' ' CG1' ' A' ' 12' ' ' VAL . 4.4 p -65.57 -14.23 60.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.85 -46.76 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 -85.69 28.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -116.69 -30.14 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 t -80.62 -57.13 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.51 -27.69 17.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -57.47 -26.42 61.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' C ' ' HG2' ' A' ' 52' ' ' LYS . 31.6 mt -90.61 161.78 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.419 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 34.8 mmtt -143.69 168.53 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 83.3 t -82.65 110.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.94 -12.1 4.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.444 ' HB3' ' CG1' ' A' ' 93' ' ' VAL . 24.2 m170 -59.79 175.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.5 t -135.57 109.17 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.458 ' CG2' HD13 ' A' ' 65' ' ' LEU . 21.0 mt -72.02 110.67 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 mt -96.17 -28.41 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -145.81 147.33 31.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.2 t -134.49 109.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 59.93 33.13 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.47 -33.54 6.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.0 mp -65.36 135.99 55.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.58 130.71 35.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.458 HD13 ' CG2' ' A' ' 57' ' ' ILE . 73.6 mt -93.19 8.47 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.05 129.0 38.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.97 19.1 71.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.433 ' HD2' ' CG ' ' A' ' 72' ' ' GLU . 36.1 mmtt -106.45 135.73 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.289 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.26 148.49 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.0 t60 -42.62 -45.0 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -36.6 84.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' CG ' ' HD2' ' A' ' 68' ' ' LYS . 3.7 tp10 -62.44 -44.61 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.28 87.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.72 -33.39 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -80.41 -38.54 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.444 HD13 ' CD2' ' A' ' 65' ' ' LEU . 71.1 mt -64.43 -45.51 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 19.9 mt -61.46 -49.47 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.53 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.3 -30.0 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.86 -24.3 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 18' ' ' THR . 7.9 t80 -86.79 -41.58 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -55.49 -57.15 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 t -40.6 143.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -93.76 -37.78 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.98 -64.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.5 ttt180 -82.06 126.47 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.04 25.82 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -163.67 166.05 22.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.55 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 66.3 mt -125.82 109.25 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.74 108.88 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.55 ' CZ ' HG23 ' A' ' 89' ' ' ILE . 56.2 m-85 -105.28 103.17 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.9 tp -87.4 107.48 18.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.444 ' CG1' ' HB3' ' A' ' 55' ' ' HIS . 25.2 m -114.6 159.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.3 t -145.41 105.84 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.17 81.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -55.3 -44.12 75.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -154.33 124.68 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -61.97 -66.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.08 -161.67 13.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 112.21 3.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.391 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.0 p -64.99 -46.29 82.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.6 t -65.54 -49.45 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -43.83 103.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -43.49 150.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.84 -161.16 28.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.9 p -43.78 162.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.841 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -156.03 168.88 25.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.14 132.35 0.67 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.8 m -110.9 104.46 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.38 116.61 7.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 55.7 t -110.11 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 22.9 ttm105 -80.92 112.97 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -105.25 105.0 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -70.99 130.9 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 43.2 mttm -60.86 75.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LYS . 9.6 t -93.74 -42.54 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.78 172.59 5.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.88 -41.29 23.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.1 p -145.75 127.24 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.6 tp -54.46 137.11 43.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.87 87.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.2 pt -141.36 144.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.62 145.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.575 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.1 pt -140.51 176.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.422 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 17.1 pt-20 -153.34 -176.2 5.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.35 -146.81 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.11 155.2 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.08 -29.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -62.31 -57.12 12.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 10.6 t -77.47 162.49 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' NH1' ' OE1' ' A' ' 31' ' ' GLN . 1.1 tmt_? -44.26 -22.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.421 ' OE1' ' NH1' ' A' ' 30' ' ' ARG . 28.6 tp60 -88.89 110.95 41.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -97.44 154.59 37.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.45 ' CG ' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.76 145.28 56.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt180 -121.94 131.5 54.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 73.2 mt -64.97 117.5 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 38' ' ' THR . 14.9 m -103.22 -34.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.428 ' N ' HG23 ' A' ' 37' ' ' VAL . 84.6 m -142.52 135.4 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.7 mt -120.88 100.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.52 135.3 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -63.11 -46.4 87.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.46 56.74 5.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.49 155.91 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.3 p -55.85 -35.45 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.29 -47.61 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -39.59 -45.34 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.15 -45.11 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.37 -25.83 6.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -45.24 -44.76 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 mt -81.1 174.84 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -149.61 167.95 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.2 120.49 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.57 -6.99 10.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -65.21 175.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 82.8 t -138.04 107.56 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.452 HG21 ' CG2' ' A' ' 60' ' ' VAL . 13.2 mt -72.47 111.31 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -96.76 -26.31 15.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' CB ' HD23 ' A' ' 92' ' ' LEU . 37.3 tt0 -147.13 148.29 31.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' CG2' HG21 ' A' ' 57' ' ' ILE . 73.9 t -142.92 114.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.16 31.74 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.85 -30.67 7.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -78.43 117.93 20.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.57 139.1 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.458 ' CD2' HD12 ' A' ' 76' ' ' ILE . 49.9 mt -90.25 15.72 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.51 135.46 57.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.69 24.65 60.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -111.64 151.52 28.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' GLU . 10.7 mt-10 -90.73 144.02 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.575 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.3 t60 -38.29 -45.27 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -62.29 -38.7 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' GLU . 2.9 tp10 -66.69 -37.67 85.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.59 -47.76 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.02 -33.85 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -77.94 -43.39 30.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.458 HD12 ' CD2' ' A' ' 65' ' ' LEU . 69.9 mt -58.57 -47.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.2 mt -61.34 -52.78 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.1 -44.82 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.075 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.8 -31.29 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.79 -25.37 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -85.64 -40.33 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -56.86 -58.27 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 t -40.99 145.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -99.75 -25.18 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.57 -63.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.563 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -90.48 144.59 25.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 32.25 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.563 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 24.4 p90 -170.36 167.3 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.407 HG13 ' NZ ' ' A' ' 14' ' ' LYS . 88.3 mt -132.38 114.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.91 110.84 8.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.01 104.23 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.452 HD23 ' CB ' ' A' ' 59' ' ' GLU . 10.9 tp -83.49 102.57 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.45 164.62 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.481 HG23 ' CE2' ' A' ' 96' ' ' PHE . 10.5 t -153.03 108.56 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -64.31 89.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.481 ' CE2' HG23 ' A' ' 94' ' ' THR . 18.7 m-85 -71.75 97.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -39.68 121.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -97.61 99.0 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.24 -160.93 34.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 147.67 63.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.389 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' SER . 11.9 t -85.93 -64.56 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 101' ' ' SER . 3.7 m -35.88 128.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p 42.97 41.46 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -93.97 116.0 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.72 49.88 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -116.91 172.71 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.8 p -79.86 97.63 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.28 29.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -136.54 105.96 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.96 122.19 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 47.9 t -117.23 100.98 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 23.0 ttm105 -75.82 118.0 18.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.04 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 6.3 tmtt? -66.55 153.07 43.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.578 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 8.2 mmtp -72.67 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 m -74.15 -54.96 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.98 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.66 -16.34 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -152.37 128.64 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.9 128.94 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.64 85.99 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -137.71 154.75 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.75 145.01 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.52 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -142.76 177.78 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -154.95 -178.69 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.31 -153.63 33.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.73 162.53 10.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.14 -21.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -87.98 27.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 30' ' ' ARG . 11.1 t -166.72 157.76 12.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' THR . 15.1 ttm180 -36.49 -35.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.4 tp60 -89.0 109.99 34.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.8 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 3.9 mm? -93.58 151.81 40.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.552 0.691 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 141.63 45.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -117.94 129.38 55.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 57.6 mt -64.94 114.25 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.0 m -98.62 -32.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.5 m -146.14 139.81 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.6 mt -125.6 97.74 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -52.93 156.53 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -75.13 -43.96 49.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.22 46.7 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.56 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 p -57.37 -44.66 84.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.67 -66.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 47' ' ' ASN . 4.3 t-160 -48.11 -56.72 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.8 m-20 -35.19 -47.54 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.0 t -57.76 -49.22 77.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 46' ' ' HIS . . . 85.99 -11.44 62.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -74.24 -15.11 61.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.4 mt -104.57 165.15 11.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.17 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.88 112.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.36 -7.38 5.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -67.28 172.75 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.7 t -134.3 109.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' HD12 ' A' ' 65' ' ' LEU . 23.0 mt -73.66 110.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.47 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.3 mt -97.69 -25.42 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CB ' HD23 ' A' ' 92' ' ' LEU . 34.3 tt0 -148.2 148.84 30.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.45 111.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m120 60.75 31.16 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.98 -35.08 5.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.459 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -73.34 115.96 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 t -77.91 132.2 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD12 ' CG2' ' A' ' 57' ' ' ILE . 97.1 mt -83.97 -2.97 57.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 13.9 ptt180 -52.43 122.61 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.03 16.19 77.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -112.41 142.81 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -76.83 150.35 36.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.52 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.8 t60 -42.61 -50.0 5.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 5.3 ptt180 -59.75 -37.17 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 6.4 tt0 -64.15 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.14 -41.54 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -34.65 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -78.29 -45.95 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.451 HD12 ' CD2' ' A' ' 65' ' ' LEU . 64.0 mt -54.72 -45.45 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.7 mt -64.11 -50.55 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.87 -46.19 67.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -56.28 -28.77 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.24 -19.83 56.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.578 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 3.7 t80 -93.12 -37.26 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 83' ' ' THR . 7.5 mtmp? -63.72 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 82' ' ' LYS . 5.3 t -35.8 152.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.42 -29.24 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -40.33 -61.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.429 ' NH1' ' HB2' ' A' ' 86' ' ' ARG . 16.6 ttm105 -93.26 136.09 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -104.53 40.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.457 ' CA ' ' HE3' ' A' ' 14' ' ' LYS . 54.1 p90 -174.98 172.66 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 11.8 mt -139.91 121.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -83.52 110.85 18.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -103.15 106.7 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.47 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 8.8 tp -85.36 109.44 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -117.86 159.86 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.446 HG22 ' CG ' ' A' ' 96' ' ' PHE . 5.2 t -123.34 -18.25 6.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 97' ' ' ASN . 7.3 tt0 54.08 48.87 20.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.446 ' CG ' HG22 ' A' ' 94' ' ' THR . 16.9 m-85 -44.88 93.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' GLU . 3.7 m-80 34.55 44.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASN . 30.4 t -38.07 134.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.5 159.39 23.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.43 2.07 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.4 p -133.37 158.1 43.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 t -133.48 -44.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -51.59 -44.26 62.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -130.06 128.7 42.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.49 122.15 6.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 t -107.68 136.47 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -80.16 104.12 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.68 168.18 14.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -140.24 116.18 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.416 HD12 ' CG ' ' A' ' 90' ' ' ASP . 1.2 tm? -75.88 125.87 29.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.7 t -124.46 104.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -75.72 118.89 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.29 111.94 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 86' ' ' ARG . 30.8 mttt -75.1 58.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -69.3 -38.65 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.13 160.0 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.92 91.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -142.93 132.68 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 26.9 tp -67.07 113.28 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.43 104.77 2.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 pt -150.72 147.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.15 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 144.57 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.64 177.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -158.62 152.6 23.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.35 -149.31 18.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.01 149.03 6.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.6 -32.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.6 -53.85 50.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.8 t -77.83 166.03 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -46.05 -34.93 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -79.87 116.42 60.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -102.24 156.05 35.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.92 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.465 ' CG ' HD11 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.75 141.06 44.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.358 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -117.96 129.91 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 75.2 mt -63.77 118.69 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 m -104.07 -31.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m -147.82 133.18 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.71 102.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -47.62 122.48 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.417 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 7.4 mpt_? -54.47 -43.65 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.94 33.75 2.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.4 149.96 17.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 m -44.11 -56.02 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -37.95 -47.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.417 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 15.0 t-160 -69.21 -50.58 46.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -57.08 -63.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.0 p -52.23 -43.51 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.67 -137.51 14.92 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 45.28 26.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.956 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 mt -151.4 163.35 39.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -149.36 162.64 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -75.79 111.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.24 -3.15 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.568 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 18.5 m170 -69.12 174.94 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.8 t -134.74 109.05 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 9.8 mt -73.22 110.65 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.472 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -97.66 -24.69 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.464 ' CB ' HD21 ' A' ' 92' ' ' LEU . 29.9 tt0 -149.5 149.51 30.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.95 112.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 59.72 31.65 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.1 -33.94 5.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.8 116.25 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 t -75.89 150.08 37.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.468 HD21 ' CB ' ' A' ' 73' ' ' ALA . 84.1 mt -101.67 2.24 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.51 127.54 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.98 19.82 79.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -116.25 146.37 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.28 144.74 30.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 1.7 t60 -38.16 -46.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -57.35 -49.61 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -55.32 -35.6 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.468 ' CB ' HD21 ' A' ' 65' ' ' LEU . . . -67.63 -48.86 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.02 -38.96 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -74.3 -40.59 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.97 -47.0 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.4 mt -62.29 -53.53 46.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.09 -48.66 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.72 -27.98 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -20.46 59.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.43 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.9 t80 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 83' ' ' THR . 77.0 mttt -64.0 -49.02 74.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.7 t -35.83 136.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -96.0 19.88 10.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.49 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 20.3 ttm-85 -89.7 121.81 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.48 30.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.555 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 4.7 p90 -167.16 178.35 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.533 HG22 ' CZ ' ' A' ' 91' ' ' PHE . 30.8 mt -135.76 111.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.469 ' OD1' ' CE1' ' A' ' 88' ' ' TYR . 31.5 m-20 -72.68 103.84 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.533 ' CZ ' HG22 ' A' ' 89' ' ' ILE . 55.8 m-85 -97.6 105.26 17.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 5.8 tp -83.83 109.48 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.43 159.66 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 t -121.02 -13.11 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.568 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 4.1 mt-10 53.24 53.06 12.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -47.75 168.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -72.9 143.61 47.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 t -50.9 159.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -135.09 82.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -7.02 20.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -50.63 -57.9 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.0 m -81.98 139.28 34.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -42.4 129.91 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 p -129.44 123.82 32.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.06 -58.58 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -106.37 135.57 47.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -151.15 122.95 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.86 142.6 3.46 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -112.98 107.33 15.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.71 122.42 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 57.3 t -116.42 105.65 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -81.45 113.01 19.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -104.36 117.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -81.94 145.7 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.567 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 7.1 mttp -73.99 62.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 p -70.85 -15.56 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.11 -177.95 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.81 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.0 p -148.2 128.92 14.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.15 142.97 55.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' ' 40' ' ' GLN . . . -131.95 100.36 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 32.8 pt -154.75 151.19 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 141.61 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.79 176.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -153.77 172.16 17.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.02 -147.76 17.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 140.83 143.65 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.517 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.99 -30.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -66.72 -67.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.9 t -54.17 -176.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -61.81 -34.0 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -82.99 116.43 64.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 66' ' ' ARG . 3.1 mm? -103.25 155.27 36.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 140.7 43.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' C ' HG23 ' A' ' 23' ' ' ILE . 78.3 ttt180 -117.67 130.28 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.4 mt -64.41 114.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -101.61 -30.09 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m -150.21 138.87 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.5 mt -115.58 96.35 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.429 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 30.4 mm-40 -51.99 150.85 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -88.34 172.57 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.77 -42.66 2.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.01 172.64 8.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.0 m -64.91 -46.87 79.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.6 -51.34 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -65.24 -59.31 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -38.83 -46.16 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 m -84.88 110.39 18.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.74 54.35 4.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -114.64 -29.58 6.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 ' C ' ' HG2' ' A' ' 52' ' ' LYS . 7.8 mt -92.45 173.59 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.413 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.1 mmtp -151.91 152.77 32.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.92 123.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.89 -11.08 10.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -62.99 173.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 84.6 t -136.25 106.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.434 HG23 ' CG2' ' A' ' 60' ' ' VAL . 23.8 mt -71.11 110.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.41 -33.69 12.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -139.91 139.11 36.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' CG2' HG23 ' A' ' 57' ' ' ILE . 96.7 t -128.12 110.46 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.462 ' ND2' ' HD2' ' A' ' 86' ' ' ARG . 12.2 m120 59.47 32.77 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.37 -30.26 9.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.72 132.22 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.7 127.42 35.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.8 mt -93.77 -5.14 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.444 ' N ' HD12 ' A' ' 33' ' ' LEU . 2.1 ttt180 -37.69 -54.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.33 39.9 2.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -121.86 139.52 53.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' HIS . 28.2 mt-10 -81.71 144.68 30.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 9.8 t60 -36.0 -41.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -51.12 65.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.89 -40.29 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.81 -52.86 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.54 -39.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -72.7 -47.18 49.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.75 -51.17 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.8 mt -57.74 -50.84 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.58 -46.44 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -55.76 -34.81 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.567 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 4.5 t80 -91.97 -39.32 11.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -61.96 -61.51 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.2 t -42.46 153.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 85' ' ' ASP . 1.8 mptp? -104.61 -27.93 11.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 84' ' ' LYS . 15.0 m-20 -36.34 -56.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.462 ' HD2' ' ND2' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -110.14 125.8 53.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.402 ' HA ' ' NZ ' ' A' ' 14' ' ' LYS . 1.2 p-10 -88.42 41.92 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -169.66 -179.63 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.564 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 56.2 mt -145.59 116.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -68.52 125.13 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.564 ' CZ ' HG21 ' A' ' 89' ' ' ILE . 49.1 m-85 -122.45 102.97 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 20.3 tp -87.8 108.32 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.88 158.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.0 t -146.47 109.46 4.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.4 88.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -65.41 138.94 58.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -77.46 82.06 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t -162.96 153.17 16.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 164.33 -157.96 30.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 121.46 8.17 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.3 m -122.45 111.29 16.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.9 p -121.58 171.11 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m -147.67 119.7 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -104.01 134.9 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.11 58.69 0.47 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -111.97 173.22 6.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 p -102.23 158.54 16.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.43 155.0 10.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 93' ' ' VAL . 52.4 m -133.35 107.44 8.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.41 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -71.1 125.9 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.405 HG11 ' CD1' ' A' ' 51' ' ' LEU . 60.3 t -124.08 114.59 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -93.22 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.96 113.32 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.7 tptp -75.69 140.61 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -72.44 66.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -81.77 -46.77 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.3 175.89 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.05 -40.03 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -139.35 146.59 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 tp -69.44 144.8 53.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.87 82.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 13.5 pt -136.82 136.99 47.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 111.177 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.0 144.98 42.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.535 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -140.88 177.76 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 11.9 pt-20 -159.55 146.53 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.77 -148.1 16.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.433 ' N ' HG23 ' A' ' 29' ' ' THR . . . 131.63 153.67 7.55 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.56 -39.42 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.42 -33.85 68.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.433 HG23 ' N ' ' A' ' 26' ' ' GLY . 14.9 t -95.99 171.94 8.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -52.69 -33.76 49.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -85.18 113.82 52.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.45 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' CD1' ' HA ' ' A' ' 58' ' ' LEU . 4.1 mm? -99.25 151.8 37.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 141.1 44.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' C ' HG23 ' A' ' 23' ' ' ILE . 52.2 ttt180 -120.48 129.82 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.96 120.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.409 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 12.2 m -104.91 -28.63 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 m -153.17 135.68 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.3 99.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -49.07 163.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -87.92 175.64 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.69 31.29 0.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.69 150.04 18.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -47.5 -28.11 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.83 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.57 -54.45 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -43.12 -62.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.2 t -52.74 -31.17 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.72 64.08 4.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -131.23 -32.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.405 ' CD1' HG11 ' A' ' 10' ' ' VAL . 2.3 mm? -95.12 168.98 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -147.62 142.87 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.97 107.57 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.01 13.77 2.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.7 m170 -90.96 166.08 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.815 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.5 t -131.35 106.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.449 HG21 ' CG2' ' A' ' 60' ' ' VAL . 20.2 mt -73.02 108.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.412 ' HA ' ' CD1' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -94.48 -25.91 16.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -151.94 148.02 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.449 ' CG2' HG21 ' A' ' 57' ' ' ILE . 80.1 t -144.1 123.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 59.0 30.22 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.39 -29.39 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.492 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.3 116.16 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 13.0 t -77.41 128.65 34.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 HD23 ' CB ' ' A' ' 73' ' ' ALA . 81.3 mt -80.22 13.07 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -58.79 132.31 53.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.13 29.46 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -115.87 147.15 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.718 0.294 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.1 mt-10 -83.97 141.41 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.535 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -37.79 -43.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.5 tp10 -60.49 -38.94 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.46 ' CB ' HD23 ' A' ' 65' ' ' LEU . . . -65.68 -54.18 30.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.085 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.29 -37.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -76.03 -44.51 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.458 HD13 ' CD2' ' A' ' 65' ' ' LEU . 81.3 mt -57.39 -49.82 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.3 mt -58.47 -53.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.89 -46.13 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -55.63 -32.19 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.29 -23.15 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CA ' HD12 ' A' ' 89' ' ' ILE . 2.6 t80 -90.04 -39.03 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -54.46 -54.12 45.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 t -45.45 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -111.95 -28.77 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -45.32 -62.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.559 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -84.84 135.58 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -98.36 36.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.559 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 52.4 p90 -175.26 -178.09 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.45 HG23 ' CE2' ' A' ' 91' ' ' PHE . 92.3 mt -141.18 115.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 1.1 t0 -67.63 136.53 54.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.49 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 51.1 m-85 -134.49 102.9 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.5 tp -86.44 103.32 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' THR . 34.8 m -113.75 163.13 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.9 t -150.2 107.15 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -64.24 80.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -56.36 97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -104.34 124.41 49.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -137.08 112.6 9.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.56 -171.41 44.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -6.08 17.76 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.2 m 45.68 49.51 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.1 m -87.34 96.22 10.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -65.2 146.22 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -153.34 143.06 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.31 90.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -112.26 149.02 32.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -92.23 130.11 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.38 171.83 26.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.9 m -137.42 106.15 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.153 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.517 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -60.58 119.89 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.469 ' N ' HD11 ' A' ' 9' ' ' LEU . 36.5 t -121.76 107.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.553 ' HG3' ' CD2' ' A' ' 88' ' ' TYR . 5.1 ttp-105 -85.34 121.0 27.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.05 97.98 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.48 139.18 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 72.6 mttt -64.26 84.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -105.48 -51.33 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' HB1' ' CA ' ' A' ' 44' ' ' SER . . . -59.74 169.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.31 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.7 p -138.93 120.81 15.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 tp -41.28 115.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.0 91.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.0 pt -150.72 146.29 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 151.78 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.53 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -142.56 176.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -158.56 158.19 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.86 -142.29 17.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 123.1 145.58 6.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.13 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' GLY . 10.2 t-20 -60.89 -54.5 44.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.0 t -80.59 -178.6 6.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -59.63 -27.84 66.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' NE2' HH21 ' A' ' 35' ' ' ARG . 33.4 tp60 -86.76 112.95 50.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.68 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 3.4 mm? -97.67 155.64 36.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.07 27.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.352 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.431 HH21 ' NE2' ' A' ' 31' ' ' GLN . 21.4 ttm180 -114.06 127.09 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 68.0 mt -61.43 125.76 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.1 m -107.95 -33.13 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 39' ' ' ILE . 51.5 m -144.18 133.77 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.416 HD12 ' C ' ' A' ' 52' ' ' LYS . 73.4 mt -121.14 97.83 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -51.82 134.14 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -60.27 -25.67 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.15 33.51 6.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.17 16.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.427 ' CA ' ' HB1' ' A' ' 16' ' ' ALA . 35.3 p -52.18 -31.61 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.26 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -72.48 -53.09 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -72.16 -50.92 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.5 m -101.58 165.69 11.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 61.55 126.78 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -73.14 98.06 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.3 mt -140.52 168.23 20.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.416 ' C ' HD12 ' A' ' 39' ' ' ILE . 21.5 mtmm -150.92 162.53 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.3 109.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.83 -11.85 5.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.416 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -62.22 171.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG2' ' NE ' ' A' ' 35' ' ' ARG . 85.2 t -136.24 112.04 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.469 ' CG2' HD11 ' A' ' 65' ' ' LEU . 10.8 mt -74.88 116.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mt -103.42 -30.49 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -143.21 138.25 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.433 ' CG2' HG23 ' A' ' 57' ' ' ILE . 87.8 t -132.18 122.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.068 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 51.31 33.17 9.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.82 -29.35 9.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.26 138.27 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.75 126.82 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 57' ' ' ILE . 77.6 mt -88.99 5.83 42.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -60.33 126.79 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.35 78.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -114.15 128.75 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.5 148.19 52.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.53 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.3 t60 -42.06 -45.01 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -47.29 85.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -44.99 91.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.08 -48.07 77.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.52 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -76.09 -42.9 45.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.9 mt -56.96 -50.46 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.1 mt -59.96 -53.58 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.21 -44.06 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.76 -31.62 68.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.65 -16.06 62.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -95.08 -41.06 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.02 -58.67 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.435 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.3 t -38.82 141.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -91.7 -33.9 14.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.9 -67.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -63.76 153.89 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.2 13.05 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.553 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 39.0 p90 -157.95 179.32 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.537 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 8.2 mt -141.8 114.36 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -69.8 134.45 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.537 ' CZ ' HG23 ' A' ' 89' ' ' ILE . 61.7 m-85 -134.98 100.96 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.2 tp -89.8 103.22 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.4 m -106.12 163.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 t -124.83 -18.11 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 96' ' ' PHE . 2.3 tm-20 48.89 50.71 17.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 95' ' ' GLU . 20.0 m-85 -35.27 128.33 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -109.52 163.7 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.7 p -173.27 172.44 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.33 -81.97 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.48 24.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.293 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 t 40.98 41.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.8 p -104.44 128.81 52.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -100.67 147.62 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.871 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -83.58 128.3 34.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.71 90.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -62.89 -56.44 17.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 m -57.06 100.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.89 171.26 22.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -141.65 115.47 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.111 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.09 121.0 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.6 t -117.29 107.32 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' NH1' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -79.22 115.99 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -108.61 103.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -67.39 136.39 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 66.2 mttt -71.68 86.57 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.3 t -86.02 -47.1 9.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.26 -178.15 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 -23.01 27.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -151.99 143.32 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tp -78.85 123.67 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.58 97.5 0.76 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 pt -142.5 151.13 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.51 143.63 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.558 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -141.15 177.3 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -158.04 170.55 22.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.54 -140.57 15.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 117.17 158.38 11.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.14 -67.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -38.54 -48.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 30' ' ' ARG . 51.1 p -79.23 148.19 32.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' THR . 18.3 ttm180 -34.76 -41.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -80.2 117.07 65.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.03 154.22 39.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.412 ' CG ' HD13 ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.76 137.91 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt-85 -114.64 130.7 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -65.36 120.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 m -107.58 -31.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 70.2 m -145.55 140.57 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -125.39 101.92 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -59.01 142.52 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.564 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 16.2 ttm105 -67.81 -35.16 78.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.11 41.94 3.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.73 143.94 15.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.9 p -52.04 -24.51 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.15 61.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.42 -56.33 23.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -40.05 -40.11 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -66.05 -53.47 38.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.91 -34.45 2.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.516 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -45.19 -24.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.7 mt -98.03 162.71 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -140.32 168.04 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.0 t -76.9 119.22 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.44 -5.18 8.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.452 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 17.8 m170 -66.69 175.84 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.4 t -137.89 108.92 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.4 mt -74.09 110.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.88 -26.1 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' CB ' HD21 ' A' ' 92' ' ' LEU . 18.4 tt0 -146.37 149.94 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.8 t -141.02 107.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.472 ' ND2' ' HB2' ' A' ' 80' ' ' ALA . 3.5 m-20 61.91 31.76 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.0 -35.54 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.1 116.34 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.49 135.88 36.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.444 ' CD2' HD13 ' A' ' 76' ' ' ILE . 82.4 mt -88.17 17.95 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.55 132.49 40.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.46 42.65 34.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.428 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -121.15 134.15 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.7 0.286 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLU . 18.0 mt-10 -71.21 139.24 50.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.558 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.4 t60 -35.9 -41.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.44 -48.06 82.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' GLU . 3.5 tp10 -58.28 -38.45 77.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.88 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.91 -36.22 11.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -75.73 -42.56 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.444 HD13 ' CD2' ' A' ' 65' ' ' LEU . 65.4 mt -59.53 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.5 mt -63.15 -50.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.2 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.21 -27.16 61.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.472 ' HB2' ' ND2' ' A' ' 61' ' ' ASN . . . -76.93 -15.03 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.402 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 5.5 t80 -96.43 -40.29 9.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -56.76 -58.69 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 t -42.06 149.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -100.39 -30.8 11.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.61 -59.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.429 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.3 ttm180 -91.84 131.92 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -101.57 32.95 3.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.429 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 22.8 p90 -169.79 167.94 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.524 HG23 ' CZ ' ' A' ' 91' ' ' PHE . 12.8 mt -131.27 112.69 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -72.35 115.81 12.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.524 ' CZ ' HG23 ' A' ' 89' ' ' ILE . 49.9 m-85 -109.73 108.5 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.449 HD21 ' CB ' ' A' ' 59' ' ' GLU . 8.9 tp -89.82 106.85 18.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.6 m -115.0 159.35 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.507 HG23 ' CE2' ' A' ' 96' ' ' PHE . 2.2 t -116.41 -21.19 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 4.2 mt-10 61.47 45.68 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.507 ' CE2' HG23 ' A' ' 94' ' ' THR . 10.6 m-85 -44.3 162.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.14 107.82 20.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.94 -51.99 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.64 -96.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -3.14 11.37 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.7 m -109.09 170.0 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 p -127.28 128.48 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -159.34 107.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -110.18 -50.55 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.1 163.29 26.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -107.73 128.45 54.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -142.37 131.45 23.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.05 141.07 8.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.0 m -120.82 119.14 31.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.138 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD21 ' CG ' ' A' ' 90' ' ' ASP . 0.3 OUTLIER -86.37 118.81 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 39.9 t -115.57 115.76 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -85.84 98.14 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -96.5 108.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.19 152.48 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' CD ' ' CD1' ' A' ' 81' ' ' PHE . 7.5 mtmp? -91.06 83.6 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -97.49 -53.0 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 155.43 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -156.19 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -70.22 136.15 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.48 96.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.0 pt -144.81 147.55 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.31 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -139.69 177.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -161.38 153.66 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -151.89 18.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' THR . . . 130.76 153.46 7.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -36.9 -55.95 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -47.45 -40.34 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' GLY . 71.9 p -89.01 154.36 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' THR . 48.2 ttt-85 -38.22 -40.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -79.96 116.45 61.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -48.19 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -101.61 153.07 38.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.471 ' CG ' HD11 ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 57.6 ttt180 -115.47 129.56 56.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.7 mt -65.88 110.16 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.33 -31.77 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.2 m -149.75 139.01 21.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -116.34 106.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -55.26 157.44 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 9.1 tpp180 -74.45 -59.74 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.36 48.86 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 46' ' ' HIS . . . -127.02 138.32 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 p -41.41 -38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.99 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 41' ' ' ARG . 12.0 t-160 -56.44 -61.28 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -38.05 -42.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.8 m -93.09 92.24 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.64 -15.05 38.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -44.95 -30.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.415 ' C ' ' HG2' ' A' ' 52' ' ' LYS . 14.8 mt -86.48 171.47 11.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.415 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.3 mmtp -147.11 157.58 43.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.06 102.2 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.66 -0.45 3.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -66.79 175.12 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.5 t -135.09 106.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' CG2' HD12 ' A' ' 65' ' ' LEU . 14.6 mt -72.15 109.77 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.465 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.1 mt -95.97 -26.17 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.471 ' CB ' HD21 ' A' ' 92' ' ' LEU . 33.5 tt0 -147.71 151.25 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.17 116.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 57.36 31.75 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.52 -31.55 7.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.9 117.07 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.24 146.85 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.471 HD11 ' CG ' ' A' ' 34' ' ' PRO . 85.5 mt -97.05 0.31 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -58.88 129.57 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.78 -8.44 62.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -92.09 166.15 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -105.28 153.27 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 6.8 t60 -43.18 -46.41 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -60.14 -40.64 90.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.58 -36.09 80.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.27 74.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.98 -36.68 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -74.57 -46.89 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.468 HD11 ' CD2' ' A' ' 65' ' ' LEU . 55.9 mt -55.16 -48.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.1 mt -60.08 -50.28 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.75 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -56.06 -28.84 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.44 -18.35 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD1' ' CD ' ' A' ' 14' ' ' LYS . 4.9 t80 -90.46 -42.53 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -61.78 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 t -38.62 142.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -103.84 29.19 6.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -76.3 -46.85 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.96 150.12 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.48 28.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -160.17 173.3 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 90.0 mt -133.72 112.7 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -64.73 127.77 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -123.6 103.37 8.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.471 HD21 ' CB ' ' A' ' 59' ' ' GLU . 12.3 tp -83.69 107.55 16.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.68 150.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.535 HG23 ' CE2' ' A' ' 96' ' ' PHE . 5.4 t -134.99 104.69 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -60.81 81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.535 ' CE2' HG23 ' A' ' 94' ' ' THR . 18.5 m-85 -61.99 97.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -111.39 94.95 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.1 p -73.12 135.79 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.67 120.78 5.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 107.42 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.278 . . . . 0.0 112.379 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -109.53 84.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.4 p -163.6 108.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.448 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -83.81 -57.53 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -58.14 141.64 49.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.92 129.74 2.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 m -85.13 82.87 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m 54.91 47.78 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.81 141.4 9.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.8 m -107.91 105.55 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -60.33 123.65 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' N ' HD11 ' A' ' 9' ' ' LEU . 57.4 t -117.82 110.96 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -84.51 112.8 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -106.57 110.65 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -71.6 156.26 39.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.571 ' HD3' ' CE1' ' A' ' 81' ' ' PHE . 15.6 mmtp -75.73 49.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -62.15 -56.55 17.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.75 158.86 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.0 36.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' LEU . 82.2 p -142.12 108.2 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' THR . 15.1 tp -35.14 137.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.6 79.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -139.0 139.34 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.11 142.85 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -139.18 177.98 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 15.9 pt-20 -158.03 172.06 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.4 -141.01 15.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.84 150.59 7.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.23 -55.96 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 23.8 t-20 -48.37 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 35.6 p -80.91 152.45 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 62.4 ttt180 -36.67 -39.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -81.21 116.48 63.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.87 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -97.4 155.15 37.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.463 ' CG ' HD12 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.76 141.47 45.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.439 ' CZ ' ' HA2' ' A' ' 54' ' ' GLY . 41.4 ttt-85 -118.54 130.23 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.9 mt -65.87 115.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 5.1 m -99.33 -34.17 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.4 m -148.18 142.72 26.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.4 mt -117.57 100.3 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.71 141.9 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 21.2 mtm105 -62.18 -40.01 94.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.16 45.61 3.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.54 144.16 14.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.473 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.5 p -53.19 -16.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.31 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -42.66 -52.91 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -43.43 -45.8 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.4 t -70.59 -46.87 62.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 82.42 -30.13 3.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -44.88 -21.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 49' ' ' GLY . 15.4 mt -103.72 168.34 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -143.56 165.12 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -77.95 121.72 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.439 ' HA2' ' CZ ' ' A' ' 35' ' ' ARG . . . 122.48 -3.61 10.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -72.28 174.38 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -134.18 108.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.471 HG21 ' CG2' ' A' ' 60' ' ' VAL . 20.8 mt -74.66 112.66 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.32 -35.36 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -136.3 143.11 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 57' ' ' ILE . 75.5 t -139.66 119.72 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.511 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 7.0 t-20 59.65 31.7 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 90.99 -25.29 14.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.4 140.82 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.82 137.56 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.463 HD12 ' CG ' ' A' ' 34' ' ' PRO . 72.2 mt -95.43 -3.17 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -56.4 125.54 22.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.48 15.34 80.0 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -111.04 145.03 39.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.71 0.291 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 26.3 mt-10 -85.5 144.94 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.8 t60 -34.56 -49.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.52 -46.58 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' GLU . 13.0 tt0 -58.15 -44.3 87.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.89 -49.14 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.13 -36.1 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -74.93 -45.44 42.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 63.7 mt -54.18 -51.14 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 33.4 mt -58.28 -54.26 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.96 -44.51 60.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.68 -32.86 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.11 -26.19 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' CE1' ' HD3' ' A' ' 14' ' ' LYS . 14.0 t80 -79.35 -47.48 15.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 83' ' ' THR . 39.7 mtmt -60.68 -61.89 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.8 t -33.9 148.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.474 ' CD ' ' O ' ' A' ' 84' ' ' LYS . 5.3 tmtm? -107.13 26.66 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.15 -53.56 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.469 ' HD2' ' ND2' ' A' ' 61' ' ' ASN . 6.1 ptp180 -123.78 157.74 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.415 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -99.4 30.8 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.441 ' O ' ' CD ' ' A' ' 86' ' ' ARG . 42.5 p90 -166.08 172.66 11.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.432 HG13 ' CE ' ' A' ' 14' ' ' LYS . 71.5 mt -137.2 122.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -74.89 131.49 40.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -126.9 108.12 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.9 tp -91.83 110.66 22.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.0 m -116.72 154.05 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t -122.3 -10.02 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' PHE . 7.1 tt0 44.03 53.51 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' GLU . 8.3 m-85 -36.85 -54.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -133.91 159.48 40.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.5 p -132.69 113.77 13.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.66 75.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 161.82 44.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -136.82 127.62 27.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 t -63.37 -49.91 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -102.4 114.67 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 m -92.33 139.02 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.0 92.68 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -109.71 160.54 16.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.848 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 m -46.72 118.54 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.36 160.81 24.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.433 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' VAL . 89.8 m -131.96 107.87 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.459 ' C ' ' CD1' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -73.93 119.9 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.447 ' N ' HD11 ' A' ' 9' ' ' LEU . 73.6 t -114.11 136.61 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 ' N ' HG11 ' A' ' 10' ' ' VAL . 19.5 ttt180 -107.2 100.73 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.34 100.08 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 1.2 tmmm? -67.07 150.16 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 29.1 mttt -76.14 57.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -77.34 -37.75 51.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.01 127.76 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.6 -24.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.4 p -148.38 168.19 23.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.72 132.77 44.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.47 85.17 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 pt -134.95 144.15 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.42 145.31 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -143.39 176.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.415 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.2 pt-20 -158.72 152.25 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.62 -140.77 13.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.72 148.28 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.13 -19.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -73.92 -55.65 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.1 t -70.12 173.28 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -51.23 -34.34 31.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -82.18 116.44 63.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 65' ' ' LEU . 3.1 mm? -103.4 153.81 38.24 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.449 ' CG ' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.72 141.46 45.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.39 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.0 ttt180 -119.06 130.14 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 62.4 mt -64.26 120.5 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.415 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 10.0 m -103.9 -30.26 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.6 m -146.8 136.41 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 58.8 mt -120.42 100.95 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.61 135.61 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' HA ' ' CG ' ' A' ' 46' ' ' HIS . 44.5 mtt85 -61.86 -38.41 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.75 41.87 2.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.67 146.9 18.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.434 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.3 p -49.85 -31.79 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.47 90.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.501 ' CG ' ' HA ' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.05 -59.27 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -38.46 -60.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.13 86.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.63 -22.87 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.461 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -41.88 -40.69 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.402 ' C ' ' HG3' ' A' ' 52' ' ' LYS . 83.6 mt -86.08 162.49 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' HG3' ' C ' ' A' ' 51' ' ' LEU . 51.5 mttt -151.56 153.64 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.6 t -66.6 109.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.23 2.18 4.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -76.53 172.63 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.855 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 99.5 t -132.69 110.51 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 HG21 ' CG2' ' A' ' 60' ' ' VAL . 22.2 mt -74.16 111.0 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.3 mt -97.93 -25.94 14.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -147.43 145.94 29.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.46 ' CG2' HG21 ' A' ' 57' ' ' ILE . 86.1 t -144.54 117.52 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.89 30.54 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.08 -28.92 9.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.22 120.64 24.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 142.64 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.473 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 51.3 mt -98.52 14.27 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ptt85 -55.15 -29.1 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.18 35.47 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -123.15 148.75 45.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 72' ' ' GLU . 41.2 mt-10 -91.88 152.36 20.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 14.1 t60 -37.13 -48.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.457 ' HD3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -65.82 -39.88 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' GLU . 4.1 tp10 -63.59 -40.17 96.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' A' ' 65' ' ' LEU . . . -66.19 -50.4 64.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.11 -38.07 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -73.96 -44.73 53.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 65' ' ' LEU . 73.5 mt -54.94 -50.54 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.18 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.26 -46.58 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -55.52 -34.78 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -28.13 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.4 ' CA ' HD11 ' A' ' 89' ' ' ILE . 5.9 t80 -76.29 -48.88 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 83' ' ' THR . 36.8 mtmt -58.7 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' LYS . 7.5 t -34.68 146.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -107.61 23.99 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -75.64 -36.01 60.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -145.5 154.81 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.14 29.46 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 5.1 p90 -161.03 169.06 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.492 HG21 ' CE2' ' A' ' 91' ' ' PHE . 82.9 mt -131.64 120.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.91 125.97 28.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.492 ' CE2' HG21 ' A' ' 89' ' ' ILE . 57.6 m-85 -125.03 104.07 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 13.5 tp -85.02 104.81 15.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 8' ' ' THR . 27.3 m -116.76 155.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.542 HG21 ' CE2' ' A' ' 96' ' ' PHE . 8.8 t -140.24 107.76 5.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.96 77.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.542 ' CE2' HG21 ' A' ' 94' ' ' THR . 17.4 m-85 -60.36 97.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -148.34 147.55 29.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.3 p -148.63 166.25 28.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.4 -154.91 18.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 103.24 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 m -56.23 118.71 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m 42.43 44.91 3.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -147.44 117.32 7.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.891 0.377 . . . . 0.0 110.827 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -159.79 173.9 15.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.55 -177.8 31.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -93.83 108.07 19.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -59.43 -32.94 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 147.74 19.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -115.5 104.25 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD11 ' CB ' ' A' ' 90' ' ' ASP . 0.2 OUTLIER -67.35 128.76 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.452 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 21.7 t -117.59 114.14 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -81.72 100.54 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.8 t -90.99 113.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.37 145.64 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -78.08 48.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -67.55 -44.33 78.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.84 131.29 40.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.38 -45.47 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.4 p -134.41 145.95 49.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.72 129.57 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.27 101.49 0.61 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.5 pt -144.53 153.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -130.46 141.96 50.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.464 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -141.19 177.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.2 pt-20 -156.03 176.31 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.35 -146.14 17.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.6 153.68 7.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -62.33 -59.79 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 9.9 t -74.77 162.47 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -42.14 -27.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -85.17 113.24 49.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.28 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.64 155.87 36.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.418 ' CG ' HD12 ' A' ' 65' ' ' LEU . 54.3 Cg_endo -69.68 145.9 59.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.741 2.294 . . . . 0.0 112.327 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.409 ' C ' HG23 ' A' ' 23' ' ' ILE . 30.7 ttt-85 -121.97 129.4 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.44 115.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.42 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 19.2 m -102.01 -32.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -146.41 139.13 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -122.51 100.08 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -47.24 153.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 26.5 ttm180 -75.11 -28.99 60.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.04 46.88 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -124.9 131.99 7.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.489 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 22.4 p -34.96 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -65.47 -51.43 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 15.9 t-80 -49.74 -65.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -38.73 -66.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.3 m -39.37 -53.36 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.19 -34.05 2.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -42.6 -31.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.43 ' C ' ' HD3' ' A' ' 52' ' ' LYS . 67.8 mt -85.28 171.02 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.435 ' HZ1' ' CE1' ' A' ' 55' ' ' HIS . 0.0 OUTLIER -155.45 147.96 23.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.794 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.12 119.56 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.51 -1.39 8.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.435 ' CE1' ' HZ1' ' A' ' 52' ' ' LYS . 26.6 m170 -76.22 171.92 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 91.9 t -133.59 105.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.466 HG23 ' CG2' ' A' ' 60' ' ' VAL . 44.6 mt -67.99 107.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.43 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -94.24 -25.87 16.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' CB ' HD22 ' A' ' 92' ' ' LEU . 21.9 tt0 -149.19 144.71 26.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 57' ' ' ILE . 53.3 t -140.48 113.18 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 66.72 30.27 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.24 -27.86 12.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.55 119.03 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 t -78.33 138.71 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 76' ' ' ILE . 95.2 mt -89.32 18.18 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -60.4 137.94 58.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.61 28.96 31.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -115.85 140.7 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.9 mt-10 -77.65 140.27 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 2.0 t60 -35.79 -44.47 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -59.32 -48.91 79.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -57.61 -39.43 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.407 ' CB ' HD11 ' A' ' 65' ' ' LEU . . . -65.25 -51.14 62.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.43 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -77.45 -40.74 42.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.46 HD12 ' CD2' ' A' ' 65' ' ' LEU . 67.5 mt -60.75 -47.05 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.0 mt -61.68 -53.28 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.62 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -55.0 -31.55 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -27.32 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -81.7 -41.15 21.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.39 -49.81 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -48.11 149.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -104.41 27.55 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.77 -51.45 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -135.96 143.12 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -81.26 41.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -173.17 179.39 2.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.486 HG22 ' CE2' ' A' ' 91' ' ' PHE . 89.5 mt -139.12 118.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.454 ' CB ' HD11 ' A' ' 9' ' ' LEU . 38.8 m-20 -77.25 110.04 11.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.486 ' CE2' HG22 ' A' ' 89' ' ' ILE . 41.5 m-85 -102.61 106.32 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.43 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 12.0 tp -85.43 103.61 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.03 161.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.491 ' O ' ' N ' ' A' ' 96' ' ' PHE . 9.1 t -144.57 105.91 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -57.94 79.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 94' ' ' THR . 3.5 m-85 -56.18 -52.28 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -86.03 107.86 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.4 p -173.68 134.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.01 -170.06 42.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -0.97 7.66 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.755 2.304 . . . . 0.0 112.3 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.7 p -133.52 172.03 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -61.24 92.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 10' ' ' VAL . 60.9 m -132.4 104.4 6.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 111.165 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -56.97 124.64 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.675 ' N ' HD13 ' A' ' 9' ' ' LEU . 60.0 t -117.49 119.6 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.6 ttm105 -94.77 117.36 30.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.25 111.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.04 144.67 47.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG3' ' C ' ' A' ' 87' ' ' ASP . 13.3 mttm -75.51 57.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.7 t -67.69 -44.78 76.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 156.64 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.15 -25.19 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.6 p -150.65 131.74 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 tp -72.35 129.34 38.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.14 97.83 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 pt -139.53 144.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.68 141.44 52.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 pt -140.37 177.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' CD ' HG11 ' A' ' 37' ' ' VAL . 17.7 pt-20 -156.28 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -141.99 15.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 122.69 153.26 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.33 -63.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -41.4 -49.78 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 61.9 p -75.48 149.87 38.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 14.1 ptt85 -36.15 -41.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -79.99 116.52 61.83 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.578 0.704 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.2 mm? -96.88 149.96 36.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.532 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.75 138.98 39.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 58.4 ttt85 -116.22 130.79 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 55' ' ' HIS . 61.7 mt -64.1 116.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.413 HG11 ' CD ' ' A' ' 24' ' ' GLU . 5.7 m -101.45 -32.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -144.76 135.36 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.534 HG13 HG22 ' A' ' 53' ' ' VAL . 73.9 mt -118.29 101.78 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -49.74 148.27 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -67.97 -54.44 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.41 48.9 3.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.88 136.23 9.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 m -38.25 -53.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.02 -61.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -52.78 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.53 ' CD2' HG11 ' A' ' 10' ' ' VAL . 58.2 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.882 0.373 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' H ' ' CE1' ' A' ' 55' ' ' HIS . 35.0 mtpt -136.39 167.13 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 39' ' ' ILE . 90.8 t -77.6 113.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.49 ' O ' ' CZ ' ' A' ' 35' ' ' ARG . . . 127.8 11.16 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.541 ' HB2' HD12 ' A' ' 36' ' ' ILE . 20.4 m170 -84.41 173.49 10.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 HD23 ' A' ' 58' ' ' LEU . 67.3 t -134.54 109.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.513 HG22 HD12 ' A' ' 65' ' ' LEU . 12.4 mt -74.12 112.64 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD23 HG12 ' A' ' 56' ' ' VAL . 1.7 mt -101.02 -25.56 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -150.74 136.66 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' A' ' 57' ' ' ILE . 56.4 t -130.85 112.42 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.7 29.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -33.39 6.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.79 115.95 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 64' ' ' THR . 0.1 OUTLIER -76.59 139.72 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.622 ' HB2' HD12 ' A' ' 33' ' ' LEU . 86.8 mt -94.57 16.94 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.37 131.05 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 27' ' ' ALA . . . 68.55 8.28 55.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -98.77 146.52 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.1 mt-10 -82.92 141.83 31.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -37.1 -45.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -54.36 47.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.51 -35.66 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.628 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -68.62 -51.56 40.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.1 -37.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -73.36 -42.87 61.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 73' ' ' ALA . 31.2 mt -57.68 -49.37 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.69 -51.54 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.33 -44.32 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.58 -33.37 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.53 -22.38 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.413 ' HA ' ' HZ2' ' A' ' 14' ' ' LYS . 5.0 t80 -84.0 -41.99 16.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -56.94 -59.24 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 t -39.71 157.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' ASP . 67.9 mttt -113.07 -28.98 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 84' ' ' LYS . 9.2 m-20 -35.98 -50.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -114.39 140.47 48.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 5.0 p-10 -100.47 39.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.425 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 4.2 p90 -167.15 172.71 9.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.404 ' CG1' ' NZ ' ' A' ' 14' ' ' LYS . 6.6 mt -133.9 125.58 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.516 ' CG ' HD21 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -77.29 127.26 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -126.12 103.96 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 58' ' ' LEU . 9.0 tp -87.85 109.82 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -119.48 161.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.434 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -124.89 107.25 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -65.8 127.7 33.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.581 ' N ' HD13 ' A' ' 9' ' ' LEU . 39.5 t -118.22 105.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -80.03 112.18 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.431 HG12 ' HB2' ' A' ' 44' ' ' SER . 74.0 t -104.11 108.01 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.48 139.06 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 46.9 mttt -76.59 59.84 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -76.49 -40.72 49.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.36 -177.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.09 -40.9 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -142.06 165.55 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -93.71 113.42 25.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.11 104.88 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.4 pt -152.53 150.56 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.58 147.03 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.451 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.3 pt -145.88 176.53 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HG2' HG13 ' A' ' 37' ' ' VAL . 16.1 pt-20 -154.49 177.77 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.99 -147.71 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.74 ' O ' HG22 ' A' ' 29' ' ' THR . . . 135.95 151.59 6.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -18.77 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -86.27 14.72 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.9 t -148.42 174.83 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -48.55 -35.0 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.582 ' H ' HG23 ' A' ' 29' ' ' THR . 34.0 tp60 -89.73 109.89 35.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.596 0.712 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 31' ' ' GLN . 53.5 Cg_endo -69.71 -45.74 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.583 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.0 mm? -102.56 153.05 38.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.09 34.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' HG22 ' A' ' 23' ' ' ILE . 44.9 ttt-85 -115.11 130.09 56.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.459 HD12 ' HB2' ' A' ' 55' ' ' HIS . 58.3 mt -66.44 115.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.464 HG13 ' HG2' ' A' ' 24' ' ' GLU . 13.5 m -100.32 -30.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -148.51 135.08 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.18 103.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.11 128.78 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.603 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 22.8 ttt-85 -85.74 79.32 9.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.32 39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.13 -159.52 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.431 ' HB2' HG12 ' A' ' 12' ' ' VAL . 88.8 p -72.37 -36.65 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' HIS . . . -67.3 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.603 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 7.6 t60 -37.88 -56.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' CD2' HG11 ' A' ' 10' ' ' VAL . 91.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.91 0.386 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -150.27 164.65 35.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.83 115.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.21 -0.1 7.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.459 ' HB2' HD12 ' A' ' 36' ' ' ILE . 16.0 m170 -73.79 173.36 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 HD23 ' A' ' 58' ' ' LEU . 67.6 t -135.66 106.88 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.517 HG21 ' CG2' ' A' ' 60' ' ' VAL . 29.4 mt -73.42 110.2 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.409 HD23 HG12 ' A' ' 56' ' ' VAL . 1.3 mt -93.52 -35.82 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -139.59 142.72 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.517 ' CG2' HG21 ' A' ' 57' ' ' ILE . 98.0 t -136.46 112.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.477 ' OD1' HG23 ' A' ' 89' ' ' ILE . 4.8 m120 61.36 33.33 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.66 -30.57 7.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.684 HD22 HG23 ' A' ' 76' ' ' ILE . 4.9 mp -66.7 131.85 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.583 ' HB2' HD12 ' A' ' 33' ' ' LEU . 78.8 mt -110.54 1.78 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.52 ' HA ' HD11 ' A' ' 33' ' ' LEU . 12.4 ptt180 -48.36 -29.65 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.86 32.4 3.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 57.3 mmtt -116.18 147.02 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' GLU . 30.8 mt-10 -89.72 145.11 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' GLU . 1.8 t-80 -34.37 -42.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -67.8 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.0 tt0 -59.4 -39.93 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.77 -38.32 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.19 -46.25 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.684 HG23 HD22 ' A' ' 63' ' ' LEU . 79.4 mt -53.44 -50.09 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.35 -49.65 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.59 -44.87 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -56.97 -31.77 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -15.22 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -94.43 -40.1 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -59.16 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 t -40.67 147.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ASP . 3.9 tmtm? -96.66 -38.26 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' LYS . 26.1 t70 -37.86 -59.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -88.65 129.46 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -101.79 36.34 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.477 ' N ' ' HE3' ' A' ' 14' ' ' LYS . 54.6 p90 -173.73 -179.11 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.477 HG23 ' OD1' ' A' ' 61' ' ' ASN . 74.8 mt -144.98 118.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.763 ' HB3' HD11 ' A' ' 9' ' ' LEU . 79.2 m-20 -74.39 128.68 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -122.88 103.3 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.434 HD11 ' HA3' ' A' ' 7' ' ' GLY . 11.8 tp -87.94 102.32 14.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.7 m -111.37 162.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 94' ' ' THR . 10.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.507 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -132.38 101.86 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.626 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -61.16 125.47 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.626 ' N ' HD13 ' A' ' 9' ' ' LEU . 24.1 t -117.47 116.68 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -85.27 103.38 14.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.6 t -90.44 111.94 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.49 141.26 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 60.5 mttt -76.61 49.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -67.04 -46.71 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.85 153.15 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.09 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -125.18 143.12 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.23 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.41 87.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.582 HD11 HG21 ' A' ' 77' ' ' ILE . 27.6 pt -149.25 144.32 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.13 140.18 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.73 176.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' CD ' HG11 ' A' ' 37' ' ' VAL . 26.5 pt-20 -156.09 153.61 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.673 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 114.93 -147.45 18.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 138.28 147.83 5.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.86 -24.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLY . 16.7 t-20 -69.11 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.673 HG21 ' HA2' ' A' ' 25' ' ' GLY . 3.6 t -60.88 178.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' OG1' ' A' ' 29' ' ' THR . 20.8 ttm-85 -57.65 -29.19 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -85.66 116.38 65.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.72 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 66' ' ' ARG . 2.8 mm? -101.06 154.84 36.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.41 47.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' C ' HG22 ' A' ' 23' ' ' ILE . 43.4 ttt180 -120.14 130.15 54.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 55' ' ' HIS . 64.3 mt -64.91 122.59 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.419 HG11 ' CD ' ' A' ' 24' ' ' GLU . 7.8 m -106.57 -30.71 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -145.86 139.78 26.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.765 HG13 HG22 ' A' ' 53' ' ' VAL . 70.0 mt -121.75 100.51 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -43.77 137.63 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 31.2 ttt180 -66.68 -56.31 11.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.99 51.27 2.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.21 172.2 22.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -70.74 -50.91 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.3 -50.14 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.6 t-160 -61.15 -57.8 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.485 ' HG ' HG11 ' A' ' 10' ' ' VAL . 23.3 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -150.17 155.49 39.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.765 HG22 HG13 ' A' ' 39' ' ' ILE . 54.4 t -66.98 107.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.55 -7.04 3.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.465 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -67.7 174.13 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.482 HG12 HD23 ' A' ' 58' ' ' LEU . 94.9 t -135.27 108.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 65' ' ' LEU . 20.0 mt -72.47 116.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 56' ' ' VAL . 2.0 mt -103.1 -27.62 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -147.26 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.41 111.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 59.32 35.22 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.38 -30.96 7.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.0 131.55 45.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.05 145.07 26.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 91.7 mt -112.08 6.29 19.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.617 ' HA ' HD11 ' A' ' 33' ' ' LEU . 11.9 ptt180 -50.45 -35.6 29.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.09 38.97 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.543 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -121.53 148.01 45.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' GLU . 27.4 mt-10 -93.75 146.51 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.564 ' CE1' HG13 ' A' ' 23' ' ' ILE . 8.3 t60 -35.96 -42.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.425 ' CD ' ' C ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -66.82 -47.02 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.7 tt0 -61.7 -41.59 97.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.39 -47.63 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.03 -38.03 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -73.87 -45.67 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.9 mt -54.44 -49.16 67.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 21' ' ' ILE . 20.8 mt -59.54 -49.96 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.09 -45.2 75.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.93 -32.33 65.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -29.55 66.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.79 -41.53 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.22 -57.76 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -38.67 149.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -105.74 25.59 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.21 -66.58 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.2 ptp180 -113.04 144.91 41.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -87.03 38.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 14.0 p90 -170.33 -179.53 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.4 mt -142.13 121.42 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.91 118.5 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.402 ' CZ ' HG23 ' A' ' 77' ' ' ILE . 55.9 m-85 -116.36 106.34 13.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.507 HD11 ' HA3' ' A' ' 7' ' ' GLY . 9.8 tp -86.67 104.04 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.57 162.45 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 94' ' ' THR . 5.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -116.29 115.43 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.159 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.512 HD13 ' N ' ' A' ' 10' ' ' VAL . 1.2 tm? -64.56 119.51 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.512 ' N ' HD13 ' A' ' 9' ' ' LEU . 49.0 t -108.36 138.65 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -108.05 109.01 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.97 108.35 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.0 145.04 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.2 mttt -76.43 54.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -59.94 -41.86 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.13 177.65 8.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.32 20.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.8 p -140.45 153.29 46.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 tp -84.86 140.59 31.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.546 ' C ' ' NE2' ' A' ' 40' ' ' GLN . . . -138.14 88.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.576 ' N ' HE22 ' A' ' 40' ' ' GLN . 6.2 pt -139.79 149.34 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.87 142.69 51.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -140.4 176.44 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' CD ' HG11 ' A' ' 37' ' ' VAL . 18.6 pt-20 -158.43 151.52 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.97 -144.4 16.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.14 153.74 8.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.5 -58.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -46.85 -48.37 21.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ARG . 44.7 p -76.18 150.78 37.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' THR . 7.2 tpt180 -35.88 -44.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -77.38 116.47 58.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.74 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.5 mm? -101.03 155.24 36.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.706 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.74 138.56 38.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' C ' HG22 ' A' ' 23' ' ' ILE . 22.9 ttp180 -117.33 126.36 52.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 55' ' ' HIS . 48.5 mt -64.67 115.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.408 HG11 ' CD ' ' A' ' 24' ' ' GLU . 11.2 m -101.65 -30.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.2 m -148.37 138.1 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.5 mt -121.38 96.88 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.576 HE22 ' N ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -53.11 139.54 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.98 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 44.1 mtp180 -78.13 167.69 21.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.0 -37.27 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.2 -171.93 2.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.4 p -77.69 -39.48 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . . . -51.15 -59.45 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.8 t-160 -56.02 -45.94 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.9 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -151.49 158.65 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.65 116.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.96 4.18 8.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.532 ' HB2' HD12 ' A' ' 36' ' ' ILE . 10.7 m170 -76.32 176.83 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.431 HG12 HD23 ' A' ' 58' ' ' LEU . 66.1 t -136.25 106.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.43 HG21 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -73.95 110.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.2 mt -97.32 -26.07 15.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -147.19 144.41 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.569 HG11 ' HA ' ' A' ' 77' ' ' ILE . 46.0 t -139.9 116.95 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 t30 60.43 31.54 20.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.8 -31.28 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.16 117.12 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.49 132.82 39.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.706 HD13 ' HG3' ' A' ' 34' ' ' PRO . 56.7 mt -84.4 14.34 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -60.93 134.1 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.08 23.95 62.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -112.21 141.46 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.1 mt-10 -78.64 141.2 38.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.7 OUTLIER -34.44 -46.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.04 -55.51 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.86 -38.51 35.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.542 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -68.51 -49.33 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.33 -33.82 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -78.03 -43.6 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 73' ' ' ALA . 47.0 mt -57.76 -47.03 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.569 ' HA ' HG11 ' A' ' 60' ' ' VAL . 32.6 mt -60.33 -52.57 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.96 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.65 -29.32 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -72.43 -20.77 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 5.9 t80 -86.99 -40.93 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' THR . 35.7 mttm -61.66 -63.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' LYS . 12.8 t -36.62 149.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -107.13 29.77 6.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -77.43 -49.75 14.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -135.77 144.96 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.26 39.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 86' ' ' ARG . 25.3 p90 -169.29 174.37 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.426 HG12 ' HB1' ' A' ' 80' ' ' ALA . 94.9 mt -135.36 119.22 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.85 114.38 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -111.48 104.16 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 58' ' ' LEU . 10.2 tp -83.99 112.17 19.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.92 163.87 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.448 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.1 m -129.32 110.02 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -73.99 121.33 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.653 ' N ' HD13 ' A' ' 9' ' ' LEU . 59.2 t -115.55 122.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -96.72 102.12 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -97.09 115.7 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -76.24 132.99 40.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.588 ' HD2' ' CD1' ' A' ' 81' ' ' PHE . 4.8 mtmp? -75.83 51.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -77.72 -29.97 51.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 155.69 39.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.78 75.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -149.81 151.49 33.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 20' ' ' GLY . 2.1 tt -82.34 144.03 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.765 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -147.68 87.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.648 HD11 HG21 ' A' ' 77' ' ' ILE . 24.6 pt -135.21 132.4 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.7 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.444 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.4 pt -144.38 175.9 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -151.65 -179.95 7.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 79.99 -157.38 41.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 29' ' ' THR . . . 142.53 153.82 6.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.76 -24.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' GLY . 27.6 t-20 -90.26 40.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 26' ' ' GLY . 10.6 t -174.92 162.6 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 30' ' ' ARG . 2.7 tmt_? -37.45 -35.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -93.12 112.14 54.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.9 mm? -99.3 154.8 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.719 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.77 139.81 41.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' C ' HG22 ' A' ' 23' ' ' ILE . 46.3 ttp85 -117.91 127.04 53.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.89 112.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.57 -29.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 m -147.1 141.63 26.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.5 mt -122.77 97.8 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -51.04 129.21 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -60.39 144.39 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . 91.12 -51.55 3.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' GLY . . . -35.06 147.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 p -45.59 -27.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ASN . 3.2 t-160 -60.85 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' HIS . 41.5 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -147.51 141.24 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.02 113.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.54 0.37 6.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.02 176.35 8.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.441 HG12 HD23 ' A' ' 58' ' ' LEU . 97.1 t -137.65 109.53 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.552 HG21 ' CG2' ' A' ' 60' ' ' VAL . 28.9 mt -74.15 109.16 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.441 HD23 HG12 ' A' ' 56' ' ' VAL . 1.1 mt -95.2 -25.98 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -150.42 144.09 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.552 ' CG2' HG21 ' A' ' 57' ' ' ILE . 88.6 t -141.36 124.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 57.33 31.01 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.8 -29.25 8.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -78.49 117.85 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -79.76 143.16 34.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.719 HD13 ' HG3' ' A' ' 34' ' ' PRO . 80.7 mt -99.68 10.21 41.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.563 ' HA ' HD11 ' A' ' 33' ' ' LEU . 3.4 ppt_? -43.93 -37.21 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' HD2' ' A' ' 66' ' ' ARG . . . -124.97 43.24 1.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -125.48 142.28 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 23.6 mt-10 -84.24 144.9 28.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 69' ' ' GLU . 1.7 t-80 -34.56 -41.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 3.1 tmt_? -67.85 -50.13 58.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 69' ' ' GLU . 7.1 tp10 -57.59 -37.51 73.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -67.02 -54.47 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.76 -35.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.69 -45.81 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' ALA . 61.3 mt -54.28 -49.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.648 HG21 HD11 ' A' ' 21' ' ' ILE . 22.1 mt -60.53 -49.35 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.19 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -58.16 -30.9 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.84 -23.8 62.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.588 ' CD1' ' HD2' ' A' ' 14' ' ' LYS . 2.9 t80 -81.0 -40.41 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -59.02 -60.77 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -38.74 145.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -100.59 -30.79 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -39.45 -59.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.418 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 38.7 ttm-85 -89.5 140.17 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.66 25.98 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 33.6 p90 -168.09 172.43 8.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.404 HD11 ' HD1' ' A' ' 81' ' ' PHE . 87.6 mt -129.78 116.03 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.78 130.33 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -128.32 102.75 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.448 HD11 ' HA3' ' A' ' 7' ' ' GLY . 12.1 tp -84.25 104.84 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -114.31 157.44 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 94' ' ' THR . 10.0 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.564 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 m -111.45 107.3 16.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -61.01 121.72 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.62 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.8 t -113.25 106.18 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.405 HH11 ' CB ' ' A' ' 11' ' ' ARG . 5.8 ttp-105 -83.1 107.03 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.83 99.4 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -69.02 142.18 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.3 mttt -68.98 83.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -93.63 -46.62 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -175.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.21 -40.36 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -153.25 131.78 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.9 140.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.54 99.54 0.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 pt -146.14 148.39 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.09 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.68 149.75 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.427 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -144.16 175.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' HG2' HG13 ' A' ' 37' ' ' VAL . 18.4 pt-20 -155.84 146.6 22.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 -154.76 20.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.07 142.37 3.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -64.09 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 p -56.26 174.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -51.56 -48.91 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -76.5 116.53 57.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.701 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.9 mm? -99.64 154.55 37.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.81 134.21 27.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.427 ' C ' HG22 ' A' ' 23' ' ' ILE . 21.5 ttm180 -114.39 127.36 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 55' ' ' HIS . 57.8 mt -60.07 124.51 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.466 HG13 ' HG2' ' A' ' 24' ' ' GLU . 10.1 m -109.56 -30.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -150.12 134.71 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.554 HG13 HG22 ' A' ' 53' ' ' VAL . 64.5 mt -112.96 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -46.21 137.67 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.461 HH21 ' CD2' ' A' ' 46' ' ' HIS . 2.2 tpm_? -65.3 -46.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.93 65.71 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.63 159.76 28.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -56.34 -49.11 75.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.32 -38.05 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.461 ' CD2' HH21 ' A' ' 41' ' ' ARG . 10.4 t-160 -76.77 -48.63 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.62 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.2 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -148.61 156.46 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.554 HG22 HG13 ' A' ' 39' ' ' ILE . 95.6 t -66.08 118.72 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.16 -4.93 7.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.621 ' HB2' HD12 ' A' ' 36' ' ' ILE . 26.5 m170 -73.1 170.72 14.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.475 HG12 HD23 ' A' ' 58' ' ' LEU . 87.7 t -136.09 112.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.441 HG21 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -75.57 113.38 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 56' ' ' VAL . 1.8 mt -98.0 -30.15 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.75 140.6 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG2' HG21 ' A' ' 57' ' ' ILE . 85.3 t -131.39 116.8 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.64 32.69 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.25 -32.47 6.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.38 128.95 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -85.54 143.07 28.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.668 ' HB2' HD12 ' A' ' 33' ' ' LEU . 87.6 mt -109.33 5.36 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.477 ' HA ' HD11 ' A' ' 33' ' ' LEU . 10.8 ptt180 -50.02 -38.74 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.82 42.15 1.85 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -124.9 146.97 49.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.9 mt-10 -90.49 143.9 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 69' ' ' GLU . 2.6 t-80 -34.69 -41.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -49.25 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -59.06 -39.86 83.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.38 63.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.91 -39.83 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -71.97 -46.04 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.7 mt -53.92 -50.42 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.2 -50.61 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.49 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -56.68 -31.59 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.53 -28.13 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -79.61 -44.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' THR . 62.8 mttt -58.87 -60.52 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' LYS . 9.8 t -36.97 145.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -102.02 -18.13 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -52.86 -54.93 27.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 25.0 ttm180 -104.35 118.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.08 41.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.535 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 43.0 p90 -174.93 175.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.1 mt -137.44 121.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.456 ' CB ' HD11 ' A' ' 9' ' ' LEU . 25.6 m-20 -81.15 121.55 26.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -116.86 105.71 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.564 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.2 tp -87.84 110.73 20.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.45 159.99 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.6 m -134.77 124.47 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -77.71 119.81 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.558 ' N ' HD13 ' A' ' 9' ' ' LEU . 92.3 t -110.76 110.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -83.5 106.35 15.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.65 111.83 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 145.13 43.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 30.5 mttm -78.2 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -59.2 -45.97 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.68 174.74 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.69 -23.81 29.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 t -154.19 130.89 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.89 109.66 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.93 111.1 3.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 77' ' ' ILE . 42.9 pt -149.51 155.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.88 150.89 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.43 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -145.7 175.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' OE1' HG11 ' A' ' 37' ' ' VAL . 19.4 pt-20 -156.55 137.83 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.538 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 135.54 -158.02 23.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 145.52 145.4 4.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.01 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLY . 5.4 t-20 -72.54 -63.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.538 HG21 ' HA2' ' A' ' 25' ' ' GLY . 14.8 t -62.65 172.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -50.54 -34.02 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.531 ' H ' HG23 ' A' ' 29' ' ' THR . 27.5 tp60 -85.06 116.32 64.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.8 Cg_endo -69.75 -47.31 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.8 mm? -103.68 155.03 37.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.73 140.08 41.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' HG22 ' A' ' 23' ' ' ILE . 35.5 ttp180 -117.49 127.87 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.611 HD12 ' HB2' ' A' ' 55' ' ' HIS . 53.1 mt -63.71 112.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.493 HG11 ' OE1' ' A' ' 24' ' ' GLU . 10.6 m -98.72 -30.47 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 100.0 m -147.97 136.33 21.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 53' ' ' VAL . 65.3 mt -120.09 104.35 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -52.47 130.87 32.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 9.1 mpt_? -64.29 -40.52 96.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.97 55.78 4.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.43 -175.33 20.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -36.1 38.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.4 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 12.0 t-80 -77.67 -48.66 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.489 ' HG ' HG11 ' A' ' 10' ' ' VAL . 36.3 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -148.52 164.35 34.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 39' ' ' ILE . 78.5 t -77.08 108.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.94 4.75 3.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.611 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -78.01 177.07 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.508 HG12 HD23 ' A' ' 58' ' ' LEU . 97.5 t -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.3 mt -74.51 113.22 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.508 HD23 HG12 ' A' ' 56' ' ' VAL . 1.7 mt -100.07 -25.87 14.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -147.27 144.52 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.8 t -138.25 109.58 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.4 30.91 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -34.87 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.52 116.44 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.497 HG21 ' HD3' ' A' ' 66' ' ' ARG . 8.0 t -81.76 140.1 34.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD13 ' HG3' ' A' ' 34' ' ' PRO . 61.3 mt -95.62 14.59 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.569 ' HA ' HD11 ' A' ' 33' ' ' LEU . 14.6 ptt85 -51.84 -39.89 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.25 34.34 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -119.76 147.83 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' HIS . 29.6 mt-10 -90.09 145.99 24.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' GLU . 1.7 t-80 -34.94 -44.72 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -50.68 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' GLU . 4.3 tp10 -56.8 -35.36 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.96 -50.97 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.38 -35.32 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -75.93 -46.09 31.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.9 -48.72 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.422 HG21 HD11 ' A' ' 21' ' ' ILE . 26.0 mt -59.57 -52.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.58 68.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.59 -30.13 68.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.28 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.504 ' HD1' HD11 ' A' ' 89' ' ' ILE . 4.0 t80 -94.61 -38.08 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' THR . 20.4 mttp -63.13 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' LYS . 10.0 t -36.56 143.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -91.89 -30.3 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -43.34 -63.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.2 ttm105 -90.19 129.47 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.45 24.48 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.487 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 10.5 p90 -162.11 173.72 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.504 HD11 ' HD1' ' A' ' 81' ' ' PHE . 43.6 mt -131.41 122.52 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.425 ' CG ' HD11 ' A' ' 9' ' ' LEU . 58.4 m-20 -81.77 118.88 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -114.4 107.9 16.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 6.2 tp -89.63 107.73 19.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.04 161.19 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -127.33 114.84 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -78.84 121.62 25.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.677 ' N ' HD13 ' A' ' 9' ' ' LEU . 38.4 t -119.69 106.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG3' ' CD1' ' A' ' 88' ' ' TYR . 29.6 ttm180 -85.36 102.11 13.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -94.05 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.49 145.91 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 40.1 mttm -75.4 62.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -48.47 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.86 168.21 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.75 -29.32 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.66 153.61 28.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.5 tp -73.89 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.96 99.14 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.3 pt -150.66 147.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.07 49.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.437 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.1 pt -143.83 176.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.5 pt-20 -159.65 144.6 15.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.97 -146.02 17.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.28 152.45 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.97 -47.05 16.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.325 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -56.53 -45.8 80.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ARG . 71.1 p -76.72 155.42 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' THR . 11.9 ttm180 -36.16 -51.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.24 116.43 46.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 66' ' ' ARG . 2.8 mm? -100.65 150.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.453 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.6 Cg_endo -69.75 136.48 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' C ' HG22 ' A' ' 23' ' ' ILE . 32.7 ttt180 -114.17 130.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.48 117.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.406 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 16.1 m -101.61 -33.78 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.9 m -142.34 135.88 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.4 mt -119.5 101.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.07 145.57 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.42 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -70.0 -50.0 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.33 47.9 3.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.75 148.35 16.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.1 p -52.44 -25.72 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.59 -58.25 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.42 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 13.4 t-160 -48.17 -63.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' HIS . 29.0 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.629 ' HG ' HG11 ' A' ' 10' ' ' VAL . 9.3 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.921 0.391 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -148.76 161.08 42.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.9 t -73.89 108.63 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.45 -4.07 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -71.12 170.22 13.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG12 HD23 ' A' ' 58' ' ' LEU . 79.7 t -131.63 110.1 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.513 HG22 HD12 ' A' ' 65' ' ' LEU . 28.3 mt -72.96 109.9 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.584 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.1 mt -96.79 -28.09 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.516 ' HB3' HD23 ' A' ' 92' ' ' LEU . 21.7 tt0 -144.01 140.08 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.463 ' CG2' HG21 ' A' ' 57' ' ' ILE . 73.0 t -132.96 124.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.43 ' ND2' ' HB1' ' A' ' 80' ' ' ALA . 2.6 m120 49.44 31.78 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.04 -32.29 7.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.7 mm? -64.95 152.43 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.89 146.91 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.529 ' HB2' HD12 ' A' ' 33' ' ' LEU . 79.4 mt -115.7 4.79 14.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.576 ' HA ' HD11 ' A' ' 33' ' ' LEU . 12.6 ptt180 -51.91 -38.66 57.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.72 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -121.65 143.93 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.4 mt-10 -86.24 145.35 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 69' ' ' GLU . 1.9 t-80 -34.28 -43.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -65.0 -47.16 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.6 tp10 -57.9 -43.97 86.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -60.62 -49.72 76.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.37 -37.55 5.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.075 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -73.68 -46.14 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 73' ' ' ALA . 61.0 mt -53.84 -49.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.37 -54.91 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.33 -47.8 46.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.49 -29.61 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.43 ' HB1' ' ND2' ' A' ' 61' ' ' ASN . . . -72.25 -24.45 61.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.9 -46.53 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -52.4 -53.97 38.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -42.5 142.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -100.97 -14.03 18.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.38 -56.37 22.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.6 ttm180 -92.7 158.67 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -118.96 23.8 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.524 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 5.7 p90 -162.62 166.62 24.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.458 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 35.8 mt -125.86 116.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 1.1 t0 -67.83 127.35 32.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CZ ' HG21 ' A' ' 89' ' ' ILE . 65.8 m-85 -128.38 102.48 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 59' ' ' GLU . 9.8 tp -88.21 112.57 22.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.33 163.53 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.584 ' CG2' HD11 ' A' ' 58' ' ' LEU . 6.1 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.545 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -107.52 104.26 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.83 115.56 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.671 HG11 ' HG ' ' A' ' 51' ' ' LEU . 55.7 t -110.21 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -79.19 104.6 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.451 HG12 ' OG ' ' A' ' 44' ' ' SER . 89.1 t -98.94 104.74 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -76.26 140.06 41.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 70.5 mttt -67.27 86.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -97.03 -50.57 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.67 168.76 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -37.59 74.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.464 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . 9.5 t -161.7 140.62 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.65 HD22 HD12 ' A' ' 89' ' ' ILE . 34.2 tp -54.23 153.27 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.461 ' C ' ' NE2' ' A' ' 40' ' ' GLN . . . -158.69 89.0 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.768 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -135.66 136.28 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.112 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -107.16 150.78 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.446 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.3 pt -145.63 177.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -152.16 -177.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.616 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 81.09 -143.19 23.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.46 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 121.42 152.63 8.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -34.29 -48.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -42.8 -56.77 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.616 HG21 ' HA2' ' A' ' 25' ' ' GLY . 14.7 t -82.71 170.44 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt-85 -47.21 -34.84 6.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.524 ' H ' HG23 ' A' ' 29' ' ' THR . 36.3 tp60 -78.7 112.87 30.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.6 mm? -95.88 152.34 38.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' HG13 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.74 143.27 50.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' C ' HG22 ' A' ' 23' ' ' ILE . 61.0 ttt-85 -118.67 129.62 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' A' ' 55' ' ' HIS . 59.1 mt -62.77 125.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -113.26 -31.93 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 51.5 m -144.83 137.06 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG13 HG22 ' A' ' 53' ' ' VAL . 47.4 mt -118.24 97.92 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.461 ' NE2' ' C ' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -57.54 120.95 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -53.92 -36.01 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.32 48.62 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 160.37 28.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.451 ' OG ' HG12 ' A' ' 12' ' ' VAL . 4.4 p -65.57 -14.23 60.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.85 -46.76 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' HB2' HG22 ' A' ' 39' ' ' ILE . 6.4 t-160 -85.69 28.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.671 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.6 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 34.8 mmtt -143.69 168.53 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.519 HG22 HG13 ' A' ' 39' ' ' ILE . 83.3 t -82.65 110.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.94 -12.1 4.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.634 ' HB2' HD12 ' A' ' 36' ' ' ILE . 24.2 m170 -59.79 175.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 HD23 ' A' ' 58' ' ' LEU . 93.5 t -135.57 109.17 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' HD12 ' A' ' 65' ' ' LEU . 21.0 mt -72.02 110.67 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.492 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.3 mt -96.17 -28.41 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -145.81 147.33 31.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 77' ' ' ILE . 94.2 t -134.49 109.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 59.93 33.13 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.47 -33.54 6.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.508 HD22 HG23 ' A' ' 76' ' ' ILE . 6.0 mp -65.36 135.99 55.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.58 130.71 35.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.55 ' HB2' HD12 ' A' ' 33' ' ' LEU . 73.6 mt -93.19 8.47 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.05 129.0 38.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.97 19.1 71.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HD2' ' CG ' ' A' ' 72' ' ' GLU . 36.1 mmtt -106.45 135.73 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.289 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.26 148.49 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.419 ' CD2' HG13 ' A' ' 23' ' ' ILE . 1.3 t-80 -42.62 -45.0 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -36.6 84.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' CG ' ' HD2' ' A' ' 68' ' ' LYS . 3.7 tp10 -62.44 -44.61 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.28 87.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.72 -33.39 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -80.41 -38.54 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.508 HG23 HD22 ' A' ' 63' ' ' LEU . 71.1 mt -64.43 -45.51 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.578 ' HA ' HG11 ' A' ' 60' ' ' VAL . 19.9 mt -61.46 -49.47 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.53 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.3 -30.0 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.86 -24.3 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.464 ' CE2' ' HA ' ' A' ' 18' ' ' THR . 7.9 t80 -86.79 -41.58 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -55.49 -57.15 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 t -40.6 143.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -93.76 -37.78 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.98 -64.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.5 ttt180 -82.06 126.47 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.04 25.82 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -163.67 166.05 22.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.65 HD12 HD22 ' A' ' 19' ' ' LEU . 66.3 mt -125.82 109.25 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.74 108.88 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -105.28 103.17 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.545 HD11 ' HA3' ' A' ' 7' ' ' GLY . 9.9 tp -87.4 107.48 18.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 55' ' ' HIS . 25.2 m -114.6 159.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 94' ' ' THR . 7.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.8 m -110.9 104.46 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.473 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -66.38 116.61 7.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.645 HG11 ' HG ' ' A' ' 51' ' ' LEU . 55.7 t -110.11 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 22.9 ttm105 -80.92 112.97 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -105.25 105.0 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -70.99 130.9 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 43.2 mttm -60.86 75.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LYS . 9.6 t -93.74 -42.54 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.78 172.59 5.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.88 -41.29 23.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.1 p -145.75 127.24 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.6 tp -54.46 137.11 43.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.87 87.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.2 pt -141.36 144.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.62 145.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.575 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.1 pt -140.51 176.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HG2' HG13 ' A' ' 37' ' ' VAL . 17.1 pt-20 -153.34 -176.2 5.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.701 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 87.35 -146.81 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.11 155.2 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.08 -29.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -62.31 -57.12 12.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.701 HG21 ' HA2' ' A' ' 25' ' ' GLY . 10.6 t -77.47 162.49 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' NH1' ' OE1' ' A' ' 31' ' ' GLN . 1.1 tmt_? -44.26 -22.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.526 ' H ' HG23 ' A' ' 29' ' ' THR . 28.6 tp60 -88.89 110.95 41.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.7 mm? -97.44 154.59 37.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.7 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.76 145.28 56.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt180 -121.94 131.5 54.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.865 HD12 ' HB2' ' A' ' 55' ' ' HIS . 73.2 mt -64.97 117.5 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 24' ' ' GLU . 14.9 m -103.22 -34.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 84.6 m -142.52 135.4 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.433 HG22 ' HB2' ' A' ' 46' ' ' HIS . 88.7 mt -120.88 100.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.52 135.3 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -63.11 -46.4 87.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.46 56.74 5.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.49 155.91 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.3 p -55.85 -35.45 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HB2' HG22 ' A' ' 39' ' ' ILE . 2.5 t-160 -54.29 -47.61 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.645 ' HG ' HG11 ' A' ' 10' ' ' VAL . 8.7 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.926 0.393 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -149.61 167.95 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.2 120.49 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.57 -6.99 10.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.865 ' HB2' HD12 ' A' ' 36' ' ' ILE . 11.2 m170 -65.21 175.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.419 HG12 HD23 ' A' ' 58' ' ' LEU . 82.8 t -138.04 107.56 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 60' ' ' VAL . 13.2 mt -72.47 111.31 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 56' ' ' VAL . 1.4 mt -96.76 -26.31 15.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.13 148.29 31.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.579 HG11 ' HA ' ' A' ' 77' ' ' ILE . 73.9 t -142.92 114.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.16 31.74 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.85 -30.67 7.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -78.43 117.93 20.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.57 139.1 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 34' ' ' PRO . 49.9 mt -90.25 15.72 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.51 135.46 57.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.69 24.65 60.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -111.64 151.52 28.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' GLU . 10.7 mt-10 -90.73 144.02 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.575 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.3 t60 -38.29 -45.27 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -62.29 -38.7 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' GLU . 2.9 tp10 -66.69 -37.67 85.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.478 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -67.59 -47.76 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.02 -33.85 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -77.94 -43.39 30.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.57 -47.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.579 ' HA ' HG11 ' A' ' 60' ' ' VAL . 46.2 mt -61.34 -52.78 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.1 -44.82 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.075 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.8 -31.29 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.79 -25.37 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -85.64 -40.33 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -56.86 -58.27 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 t -40.99 145.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -99.75 -25.18 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.57 -63.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -90.48 144.59 25.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 32.25 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.573 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 24.4 p90 -170.36 167.3 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.419 HG13 ' NZ ' ' A' ' 14' ' ' LYS . 88.3 mt -132.38 114.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.91 110.84 8.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.01 104.23 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 tp -83.49 102.57 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.45 164.62 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 94' ' ' THR . 10.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -136.54 105.96 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -62.96 122.19 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.407 HG11 ' HG ' ' A' ' 51' ' ' LEU . 47.9 t -117.23 100.98 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 23.0 ttm105 -75.82 118.0 18.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.04 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 6.3 tmtt? -66.55 153.07 43.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.596 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 8.2 mmtp -72.67 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 m -74.15 -54.96 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.98 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.66 -16.34 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -152.37 128.64 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.9 128.94 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.64 85.99 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -137.71 154.75 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -127.75 145.01 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.413 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.3 pt -142.76 177.78 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.416 ' HG2' HG13 ' A' ' 37' ' ' VAL . 12.2 pt-20 -154.95 -178.69 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 81.31 -153.63 33.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.67 ' O ' HG22 ' A' ' 29' ' ' THR . . . 132.73 162.53 10.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.14 -21.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -87.98 27.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.684 HG21 ' HA2' ' A' ' 25' ' ' GLY . 11.1 t -166.72 157.76 12.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' THR . 15.1 ttm180 -36.49 -35.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.496 ' H ' HG23 ' A' ' 29' ' ' THR . 26.4 tp60 -89.0 109.99 34.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.8 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 58' ' ' LEU . 3.9 mm? -93.58 151.81 40.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.552 0.691 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.713 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.78 141.63 45.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.8 ttt180 -117.94 129.38 55.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 55' ' ' HIS . 57.6 mt -64.94 114.25 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.416 HG13 ' HG2' ' A' ' 24' ' ' GLU . 7.0 m -98.62 -32.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 94.5 m -146.14 139.81 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.556 HG22 ' HB2' ' A' ' 46' ' ' HIS . 94.6 mt -125.6 97.74 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -52.93 156.53 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -75.13 -43.96 49.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.22 46.7 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.56 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 p -57.37 -44.66 84.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.67 -66.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.556 ' HB2' HG22 ' A' ' 39' ' ' ILE . 4.3 t-160 -48.11 -56.72 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HG ' HG11 ' A' ' 10' ' ' VAL . 10.4 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.17 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.88 112.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.36 -7.38 5.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.501 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -67.28 172.75 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 HD23 ' A' ' 58' ' ' LEU . 84.7 t -134.3 109.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 65' ' ' LEU . 23.0 mt -73.66 110.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.64 ' HA ' HD12 ' A' ' 33' ' ' LEU . 1.3 mt -97.69 -25.42 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -148.2 148.84 30.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.45 111.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.56 ' OD1' HG23 ' A' ' 89' ' ' ILE . 2.7 m120 60.75 31.16 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.98 -35.08 5.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.459 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -73.34 115.96 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 t -77.91 132.2 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.713 HD13 ' HG3' ' A' ' 34' ' ' PRO . 97.1 mt -83.97 -2.97 57.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 13.9 ptt180 -52.43 122.61 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.03 16.19 77.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -112.41 142.81 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -76.83 150.35 36.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -42.61 -50.0 5.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 5.3 ptt180 -59.75 -37.17 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 6.4 tt0 -64.15 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -69.14 -41.54 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -34.65 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -78.29 -45.95 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.0 mt -54.72 -45.45 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.7 mt -64.11 -50.55 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.87 -46.19 67.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -56.28 -28.77 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.24 -19.83 56.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.596 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 3.7 t80 -93.12 -37.26 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 83' ' ' THR . 7.5 mtmp? -63.72 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 82' ' ' LYS . 5.3 t -35.8 152.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.42 -29.24 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -40.33 -61.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 86' ' ' ARG . 16.6 ttm105 -93.26 136.09 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -104.53 40.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.456 ' CA ' ' HE3' ' A' ' 14' ' ' LYS . 54.1 p90 -174.98 172.66 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.56 HG23 ' OD1' ' A' ' 61' ' ' ASN . 11.8 mt -139.91 121.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.519 ' HB3' HD11 ' A' ' 9' ' ' LEU . 75.1 m-20 -83.52 110.85 18.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -103.15 106.7 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 8.8 tp -85.36 109.44 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -117.86 159.86 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -140.24 116.18 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 90' ' ' ASP . 1.2 tm? -75.88 125.87 29.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.526 HG11 ' HG ' ' A' ' 51' ' ' LEU . 64.7 t -124.46 104.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -75.72 118.89 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.29 111.94 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 81' ' ' PHE . 30.8 mttt -75.1 58.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -69.3 -38.65 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.13 160.0 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.92 91.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -142.93 132.68 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.6 HD22 HD12 ' A' ' 89' ' ' ILE . 26.9 tp -67.07 113.28 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.43 104.77 2.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 77' ' ' ILE . 32.8 pt -150.72 147.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 144.57 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.64 177.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.758 ' OE1' HG11 ' A' ' 37' ' ' VAL . 19.2 pt-20 -158.62 152.6 23.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.734 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 119.35 -149.31 18.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.01 149.03 6.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.6 -32.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.6 -53.85 50.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.734 HG21 ' HA2' ' A' ' 25' ' ' GLY . 13.8 t -77.83 166.03 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -46.05 -34.93 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' H ' HG23 ' A' ' 29' ' ' THR . 23.7 tp60 -79.87 116.42 60.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.4 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.76 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.5 mm? -102.24 156.05 35.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.725 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.75 141.06 44.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.358 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -117.96 129.91 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.809 HD12 ' HB2' ' A' ' 55' ' ' HIS . 75.2 mt -63.77 118.69 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.758 HG11 ' OE1' ' A' ' 24' ' ' GLU . 7.3 m -104.07 -31.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m -147.82 133.18 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.71 102.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -47.62 122.48 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.427 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 7.4 mpt_? -54.47 -43.65 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.94 33.75 2.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.4 149.96 17.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 m -44.11 -56.02 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -37.95 -47.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.427 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 15.0 t-160 -69.21 -50.58 46.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.526 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.7 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -149.36 162.64 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -75.79 111.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.24 -3.15 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.809 ' HB2' HD12 ' A' ' 36' ' ' ILE . 18.5 m170 -69.12 174.94 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.433 HG12 HD23 ' A' ' 58' ' ' LEU . 85.8 t -134.74 109.05 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HD12 ' A' ' 65' ' ' LEU . 9.8 mt -73.22 110.65 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -97.66 -24.69 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -149.5 149.51 30.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.95 112.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 59.72 31.65 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.1 -33.94 5.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.8 116.25 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 t -75.89 150.08 37.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.734 ' HB2' HD12 ' A' ' 33' ' ' LEU . 84.1 mt -101.67 2.24 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.629 ' HD2' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -57.51 127.54 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.98 19.82 79.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -116.25 146.37 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.28 144.74 30.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -38.16 -46.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -57.35 -49.61 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -55.32 -35.6 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.63 -48.86 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.02 -38.96 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -74.3 -40.59 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.97 -47.0 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 21' ' ' ILE . 23.4 mt -62.29 -53.53 46.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.09 -48.66 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.72 -27.98 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -20.46 59.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.9 t80 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 83' ' ' THR . 77.0 mttt -64.0 -49.02 74.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.7 t -35.83 136.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -96.0 19.88 10.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.49 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 20.3 ttm-85 -89.7 121.81 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.48 30.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 4.7 p90 -167.16 178.35 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.6 HD12 HD22 ' A' ' 19' ' ' LEU . 30.8 mt -135.76 111.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.633 ' HB3' HD21 ' A' ' 9' ' ' LEU . 31.5 m-20 -72.68 103.84 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -97.6 105.26 17.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 5.8 tp -83.83 109.48 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.43 159.66 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -112.98 107.33 15.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -74.71 122.42 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.591 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.3 t -116.42 105.65 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -81.45 113.01 19.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -104.36 117.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -81.94 145.7 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 7.1 mttp -73.99 62.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 p -70.85 -15.56 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.11 -177.95 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.81 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.0 p -148.2 128.92 14.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.15 142.97 55.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 40' ' ' GLN . . . -131.95 100.36 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.461 HD11 HG21 ' A' ' 77' ' ' ILE . 32.8 pt -154.75 151.19 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 141.61 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.79 176.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -153.77 172.16 17.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 102.02 -147.76 17.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.418 ' O ' HG22 ' A' ' 29' ' ' THR . . . 140.83 143.65 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.517 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.99 -30.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -66.72 -67.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.641 HG23 ' H ' ' A' ' 31' ' ' GLN . 12.9 t -54.17 -176.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -61.81 -34.0 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.641 ' H ' HG23 ' A' ' 29' ' ' THR . 30.7 tp60 -82.99 116.43 64.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.5 Cg_endo -69.77 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 66' ' ' ARG . 3.1 mm? -103.25 155.27 36.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.8 140.7 43.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' HG22 ' A' ' 23' ' ' ILE . 78.3 ttt180 -117.67 130.28 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 55' ' ' HIS . 56.4 mt -64.41 114.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -101.61 -30.09 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m -150.21 138.87 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.5 mt -115.58 96.35 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 30.4 mm-40 -51.99 150.85 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -88.34 172.57 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.77 -42.66 2.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.01 172.64 8.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.0 m -64.91 -46.87 79.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.6 -51.34 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -65.24 -59.31 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.591 ' HG ' HG11 ' A' ' 10' ' ' VAL . 7.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.1 mmtp -151.91 152.77 32.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.92 123.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.89 -11.08 10.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.636 ' HB2' HD12 ' A' ' 36' ' ' ILE . 25.1 m170 -62.99 173.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG12 HD23 ' A' ' 58' ' ' LEU . 84.6 t -136.25 106.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.11 110.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.465 HD23 HG12 ' A' ' 56' ' ' VAL . 1.4 mt -95.41 -33.69 12.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -139.91 139.11 36.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.12 110.46 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.784 ' OD1' HG23 ' A' ' 89' ' ' ILE . 12.2 m120 59.47 32.77 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.37 -30.26 9.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.72 132.22 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.7 127.42 35.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.528 HD13 ' HG3' ' A' ' 34' ' ' PRO . 51.8 mt -93.77 -5.14 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.603 ' HA ' HD11 ' A' ' 33' ' ' LEU . 2.1 ttt180 -37.69 -54.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.33 39.9 2.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -121.86 139.52 53.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' HIS . 28.2 mt-10 -81.71 144.68 30.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 9.8 t60 -36.0 -41.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -51.12 65.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.89 -40.29 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.81 -52.86 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.54 -39.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -72.7 -47.18 49.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.75 -51.17 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.461 HG21 HD11 ' A' ' 21' ' ' ILE . 44.8 mt -57.74 -50.84 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.58 -46.44 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -55.76 -34.81 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 4.5 t80 -91.97 -39.32 11.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -61.96 -61.51 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.2 t -42.46 153.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 85' ' ' ASP . 1.8 mptp? -104.61 -27.93 11.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 84' ' ' LYS . 15.0 m-20 -36.34 -56.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HD2' ' ND2' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -110.14 125.8 53.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 14' ' ' LYS . 1.2 p-10 -88.42 41.92 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -169.66 -179.63 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.784 HG23 ' OD1' ' A' ' 61' ' ' ASN . 56.2 mt -145.59 116.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -68.52 125.13 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -122.45 102.97 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.452 HD11 ' HA3' ' A' ' 7' ' ' GLY . 20.3 tp -87.8 108.32 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.88 158.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 94' ' ' THR . 7.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 93' ' ' VAL . 52.4 m -133.35 107.44 8.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.724 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -71.1 125.9 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.724 ' N ' HD13 ' A' ' 9' ' ' LEU . 60.3 t -124.08 114.59 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -93.22 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.96 113.32 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 87' ' ' ASP . 19.7 tptp -75.69 140.61 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -72.44 66.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -81.77 -46.77 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.3 175.89 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.05 -40.03 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -139.35 146.59 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 tp -69.44 144.8 53.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.87 82.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.485 HD11 HG21 ' A' ' 77' ' ' ILE . 13.5 pt -136.82 136.99 47.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 111.177 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.0 144.98 42.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.462 HG22 ' C ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -140.88 177.76 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 11.9 pt-20 -159.55 146.53 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.643 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 124.77 -148.1 16.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.715 ' O ' HG22 ' A' ' 29' ' ' THR . . . 131.63 153.67 7.55 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.56 -39.42 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.42 -33.85 68.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.9 t -95.99 171.94 8.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -52.69 -33.76 49.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' H ' HG23 ' A' ' 29' ' ' THR . 17.3 tp60 -85.18 113.82 52.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.45 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 58' ' ' LEU . 4.1 mm? -99.25 151.8 37.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.729 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.72 141.1 44.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' C ' HG22 ' A' ' 23' ' ' ILE . 52.2 ttt180 -120.48 129.82 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 55' ' ' HIS . 64.0 mt -64.96 120.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.402 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 12.2 m -104.91 -28.63 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 m -153.17 135.68 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.3 99.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -49.07 163.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -87.92 175.64 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.69 31.29 0.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.69 150.04 18.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -47.5 -28.11 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.83 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.57 -54.45 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.522 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -147.62 142.87 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.97 107.57 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.01 13.77 2.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.7 m170 -90.96 166.08 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.815 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 58' ' ' LEU . 89.5 t -131.35 106.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.457 HG22 HD12 ' A' ' 65' ' ' LEU . 20.2 mt -73.02 108.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.567 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -94.48 -25.91 16.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -151.94 148.02 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 57' ' ' ILE . 80.1 t -144.1 123.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 59.0 30.22 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.39 -29.39 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.492 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.3 116.16 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 64' ' ' THR . 13.0 t -77.41 128.65 34.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' HG3' ' A' ' 34' ' ' PRO . 81.3 mt -80.22 13.07 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -58.79 132.31 53.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.13 29.46 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -115.87 147.15 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.718 0.294 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.1 mt-10 -83.97 141.41 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -37.79 -43.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.5 tp10 -60.49 -38.94 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -65.68 -54.18 30.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.085 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.29 -37.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -76.03 -44.51 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.3 mt -57.39 -49.82 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.485 HG21 HD11 ' A' ' 21' ' ' ILE . 21.3 mt -58.47 -53.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.89 -46.13 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -55.63 -32.19 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -67.29 -23.15 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CA ' HD11 ' A' ' 89' ' ' ILE . 2.6 t80 -90.04 -39.03 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -54.46 -54.12 45.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 t -45.45 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -111.95 -28.77 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -45.32 -62.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.558 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -84.84 135.58 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 28.7 m-20 -98.36 36.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 52.4 p90 -175.26 -178.09 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.447 HD11 ' CA ' ' A' ' 81' ' ' PHE . 92.3 mt -141.18 115.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 1.1 t0 -67.63 136.53 54.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.49 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 51.1 m-85 -134.49 102.9 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 58' ' ' LEU . 12.5 tp -86.44 103.32 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' THR . 34.8 m -113.75 163.13 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 94' ' ' THR . 9.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.595 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 10' ' ' VAL . 61.9 m -137.42 106.15 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -60.58 119.89 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.721 HG11 ' HG ' ' A' ' 51' ' ' LEU . 36.5 t -121.76 107.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.566 ' HG3' ' CD2' ' A' ' 88' ' ' TYR . 5.1 ttp-105 -85.34 121.0 27.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.05 97.98 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.48 139.18 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 72.6 mttt -64.26 84.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -105.48 -51.33 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.74 169.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.31 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.7 p -138.93 120.81 15.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.685 HD12 ' OG ' ' A' ' 44' ' ' SER . 6.7 tp -41.28 115.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.0 91.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.0 pt -150.72 146.29 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 151.78 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -142.56 176.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' HG13 ' A' ' 37' ' ' VAL . 21.1 pt-20 -158.56 158.19 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.594 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 116.86 -142.29 17.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 123.1 145.58 6.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.13 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' GLY . 10.2 t-20 -60.89 -54.5 44.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.665 HG23 ' H ' ' A' ' 31' ' ' GLN . 14.0 t -80.59 -178.6 6.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -59.63 -27.84 66.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.665 ' H ' HG23 ' A' ' 29' ' ' THR . 6.2 tp-100 -86.76 112.95 50.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.68 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.4 mm? -97.67 155.64 36.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.76 134.07 27.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.352 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.426 ' C ' HG22 ' A' ' 23' ' ' ILE . 21.4 ttm180 -114.06 127.09 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 55' ' ' HIS . 68.0 mt -61.43 125.76 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.483 HG13 ' HG2' ' A' ' 24' ' ' GLU . 5.1 m -107.95 -33.13 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.5 m -144.18 133.77 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.503 HG22 ' ND1' ' A' ' 46' ' ' HIS . 73.4 mt -121.14 97.83 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -51.82 134.14 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -60.27 -25.67 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.15 33.51 6.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.17 16.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.685 ' OG ' HD12 ' A' ' 19' ' ' LEU . 35.3 p -52.18 -31.61 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.26 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.503 ' ND1' HG22 ' A' ' 39' ' ' ILE . 1.8 t-160 -72.48 -53.09 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.721 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -150.92 162.53 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.3 109.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.83 -11.85 5.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.416 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.667 ' HB2' HD12 ' A' ' 36' ' ' ILE . 15.0 m170 -62.22 171.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG12 HD23 ' A' ' 58' ' ' LEU . 85.2 t -136.24 112.04 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.8 mt -74.88 116.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.483 HD23 HG12 ' A' ' 56' ' ' VAL . 1.8 mt -103.42 -30.49 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.52 ' HB3' HD23 ' A' ' 92' ' ' LEU . 18.5 tt0 -143.21 138.25 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.8 t -132.18 122.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 51.31 33.17 9.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.82 -29.35 9.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.26 138.27 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.75 126.82 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 33' ' ' LEU . 77.6 mt -88.99 5.83 42.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -60.33 126.79 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.35 78.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -114.15 128.75 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.5 148.19 52.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -42.06 -45.01 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -47.29 85.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -44.99 91.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -64.08 -48.07 77.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.52 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -76.09 -42.9 45.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 73' ' ' ALA . 38.9 mt -56.96 -50.46 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.1 mt -59.96 -53.58 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.21 -44.06 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.76 -31.62 68.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.65 -16.06 62.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -95.08 -41.06 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.02 -58.67 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.435 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.3 t -38.82 141.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -91.7 -33.9 14.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.9 -67.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -63.76 153.89 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.2 13.05 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 39.0 p90 -157.95 179.32 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 mt -141.8 114.36 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -69.8 134.45 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 61.7 m-85 -134.98 100.96 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.595 HD11 ' HA3' ' A' ' 7' ' ' GLY . 12.2 tp -89.8 103.22 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.4 m -106.12 163.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -141.65 115.47 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.111 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -74.09 121.0 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.426 HG11 ' HG ' ' A' ' 51' ' ' LEU . 96.6 t -117.29 107.32 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -79.22 115.99 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -108.61 103.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -67.39 136.39 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 66.2 mttt -71.68 86.57 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.3 t -86.02 -47.1 9.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.26 -178.15 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 -23.01 27.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -151.99 143.32 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 21' ' ' ILE . 6.4 tp -78.85 123.67 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.58 97.5 0.76 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 77' ' ' ILE . 30.0 pt -142.5 151.13 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.534 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -124.51 143.63 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.556 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -141.15 177.3 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.728 ' OE1' HG11 ' A' ' 37' ' ' VAL . 21.2 pt-20 -158.04 170.55 22.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.54 -140.57 15.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 117.17 158.38 11.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.14 -67.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -38.54 -48.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 30' ' ' ARG . 51.1 p -79.23 148.19 32.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' THR . 18.3 ttm180 -34.76 -41.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -80.2 117.07 65.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.8 mm? -95.03 154.22 39.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.768 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.76 137.91 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt-85 -114.64 130.7 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.769 HD12 ' HB2' ' A' ' 55' ' ' HIS . 67.6 mt -65.36 120.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.728 HG11 ' OE1' ' A' ' 24' ' ' GLU . 10.8 m -107.58 -31.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.534 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 70.2 m -145.55 140.57 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -125.39 101.92 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -59.01 142.52 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 16.2 ttm105 -67.81 -35.16 78.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.11 41.94 3.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.73 143.94 15.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.9 p -52.04 -24.51 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.15 61.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.42 -56.33 23.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' HG ' HG11 ' A' ' 10' ' ' VAL . 11.7 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -140.32 168.04 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.0 t -76.9 119.22 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.44 -5.18 8.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.769 ' HB2' HD12 ' A' ' 36' ' ' ILE . 17.8 m170 -66.69 175.84 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.544 HG12 HD23 ' A' ' 58' ' ' LEU . 99.4 t -137.89 108.92 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.409 ' O ' HD12 ' A' ' 65' ' ' LEU . 28.4 mt -74.09 110.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.544 HD23 HG12 ' A' ' 56' ' ' VAL . 1.2 mt -96.88 -26.1 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -146.37 149.94 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 77' ' ' ILE . 92.8 t -141.02 107.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 61.91 31.76 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.0 -35.54 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.1 116.34 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.524 HG23 ' HD2' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -80.49 135.88 36.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.768 HD13 ' HG3' ' A' ' 34' ' ' PRO . 82.4 mt -88.17 17.95 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.524 ' HD2' HG23 ' A' ' 64' ' ' THR . 0.3 OUTLIER -53.55 132.49 40.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.46 42.65 34.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.428 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -121.15 134.15 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.7 0.286 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLU . 18.0 mt-10 -71.21 139.24 50.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.556 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.4 t60 -35.9 -41.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.44 -48.06 82.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' GLU . 3.5 tp10 -58.28 -38.45 77.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.88 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.91 -36.22 11.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -75.73 -42.56 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.53 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 21' ' ' ILE . 29.5 mt -63.15 -50.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.2 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.21 -27.16 61.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.93 -15.03 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -96.43 -40.29 9.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -56.76 -58.69 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 t -42.06 149.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -100.39 -30.8 11.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.61 -59.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.3 ttm180 -91.84 131.92 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -101.57 32.95 3.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 22.8 p90 -169.79 167.94 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.8 mt -131.27 112.69 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.528 ' HB3' HD11 ' A' ' 9' ' ' LEU . 63.5 m-20 -72.35 115.81 12.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -109.73 108.5 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 58' ' ' LEU . 8.9 tp -89.82 106.85 18.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.6 m -115.0 159.35 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.0 m -120.82 119.14 31.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.138 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.554 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -86.37 118.81 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.554 ' N ' HD13 ' A' ' 9' ' ' LEU . 39.9 t -115.57 115.76 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -85.84 98.14 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -96.5 108.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.19 152.48 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' CD ' ' CD1' ' A' ' 81' ' ' PHE . 7.5 mtmp? -91.06 83.6 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -97.49 -53.0 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 155.43 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -156.19 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -70.22 136.15 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.48 96.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.595 HD11 HG21 ' A' ' 77' ' ' ILE . 30.0 pt -144.81 147.55 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.31 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -139.69 177.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -161.38 153.66 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -151.89 18.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' THR . . . 130.76 153.46 7.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -36.9 -55.95 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -47.45 -40.34 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' GLY . 71.9 p -89.01 154.36 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' THR . 48.2 ttt-85 -38.22 -40.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -79.96 116.45 61.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.1 Cg_endo -69.77 -48.19 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.0 mm? -101.61 153.07 38.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.744 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' C ' HG22 ' A' ' 23' ' ' ILE . 57.6 ttt180 -115.47 129.56 56.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 55' ' ' HIS . 53.7 mt -65.88 110.16 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.33 -31.77 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.2 m -149.75 139.01 21.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -116.34 106.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -55.26 157.44 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 9.1 tpp180 -74.45 -59.74 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.36 48.86 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 46' ' ' HIS . . . -127.02 138.32 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 p -41.41 -38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.99 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 41' ' ' ARG . 12.0 t-160 -56.44 -61.28 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.6 m120 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' C ' ' HG2' ' A' ' 52' ' ' LYS . 14.8 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.874 0.369 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.3 mmtp -147.11 157.58 43.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.06 102.2 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.66 -0.45 3.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.436 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.9 m170 -66.79 175.12 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.5 t -135.09 106.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.582 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.6 mt -72.15 109.77 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.636 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.1 mt -95.97 -26.17 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -147.71 151.25 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.17 116.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 57.36 31.75 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.52 -31.55 7.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.9 117.07 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.24 146.85 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.744 HD13 ' HG3' ' A' ' 34' ' ' PRO . 85.5 mt -97.05 0.31 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' HG3' HD21 ' A' ' 33' ' ' LEU . 1.9 mpt_? -58.88 129.57 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.78 -8.44 62.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -92.09 166.15 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -105.28 153.27 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -43.18 -46.41 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -60.14 -40.64 90.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 4.7 tp10 -67.58 -36.09 80.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -65.1 -48.27 74.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.98 -36.68 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -74.57 -46.89 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' ALA . 55.9 mt -55.16 -48.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.595 HG21 HD11 ' A' ' 21' ' ' ILE . 63.1 mt -60.08 -50.28 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.75 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -56.06 -28.84 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.496 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -72.44 -18.35 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD1' ' CD ' ' A' ' 14' ' ' LYS . 4.9 t80 -90.46 -42.53 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -61.78 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 t -38.62 142.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -103.84 29.19 6.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -76.3 -46.85 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.96 150.12 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.48 28.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -160.17 173.3 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.496 HG12 ' HB1' ' A' ' 80' ' ' ALA . 90.0 mt -133.72 112.7 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -64.73 127.77 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -123.6 103.37 8.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 12.3 tp -83.69 107.55 16.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.68 150.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.636 ' CG2' HD11 ' A' ' 58' ' ' LEU . 5.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.8 m -107.91 105.55 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -60.33 123.65 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.549 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.4 t -117.82 110.96 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -84.51 112.8 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -106.57 110.65 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -71.6 156.26 39.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HD3' ' CE1' ' A' ' 81' ' ' PHE . 15.6 mmtp -75.73 49.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -62.15 -56.55 17.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.75 158.86 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.0 36.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' LEU . 82.2 p -142.12 108.2 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' THR . 15.1 tp -35.14 137.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.6 79.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -139.0 139.34 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.11 142.85 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -139.18 177.98 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.542 ' HG2' HG13 ' A' ' 37' ' ' VAL . 15.9 pt-20 -158.03 172.06 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.4 -141.01 15.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.84 150.59 7.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.23 -55.96 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 23.8 t-20 -48.37 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 35.6 p -80.91 152.45 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 62.4 ttt180 -36.67 -39.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -81.21 116.48 63.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.87 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.6 mm? -97.4 155.15 37.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.625 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.76 141.47 45.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' CZ ' ' HA2' ' A' ' 54' ' ' GLY . 41.4 ttt-85 -118.54 130.23 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 55' ' ' HIS . 56.9 mt -65.87 115.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.542 HG13 ' HG2' ' A' ' 24' ' ' GLU . 5.1 m -99.33 -34.17 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.4 m -148.18 142.72 26.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 46' ' ' HIS . 80.4 mt -117.57 100.3 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.71 141.9 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 21.2 mtm105 -62.18 -40.01 94.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.16 45.61 3.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.54 144.16 14.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.473 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.5 p -53.19 -16.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.31 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.431 ' HB2' HG22 ' A' ' 39' ' ' ILE . 2.8 t-160 -42.66 -52.91 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.549 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -143.56 165.12 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -77.95 121.72 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 35' ' ' ARG . . . 122.48 -3.61 10.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.501 ' HB2' HD12 ' A' ' 36' ' ' ILE . 24.6 m170 -72.28 174.38 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -134.18 108.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.495 ' O ' HD12 ' A' ' 65' ' ' LEU . 20.8 mt -74.66 112.66 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.32 -35.36 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -136.3 143.11 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.546 HG21 HG12 ' A' ' 77' ' ' ILE . 75.5 t -139.66 119.72 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.511 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 0.5 OUTLIER 59.65 31.7 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 90.99 -25.29 14.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.4 140.82 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.82 137.56 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.625 HD13 ' HG3' ' A' ' 34' ' ' PRO . 72.2 mt -95.43 -3.17 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -56.4 125.54 22.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.48 15.34 80.0 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -111.04 145.03 39.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.71 0.291 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 26.3 mt-10 -85.5 144.94 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.8 t60 -34.56 -49.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.52 -46.58 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' GLU . 13.0 tt0 -58.15 -44.3 87.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -63.89 -49.14 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.13 -36.1 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -74.93 -45.44 42.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 73' ' ' ALA . 63.7 mt -54.18 -51.14 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.546 HG12 HG21 ' A' ' 60' ' ' VAL . 33.4 mt -58.28 -54.26 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.96 -44.51 60.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.68 -32.86 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.11 -26.19 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CE1' ' HD3' ' A' ' 14' ' ' LYS . 14.0 t80 -79.35 -47.48 15.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 83' ' ' THR . 39.7 mtmt -60.68 -61.89 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.8 t -33.9 148.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.474 ' CD ' ' O ' ' A' ' 84' ' ' LYS . 5.3 tmtm? -107.13 26.66 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.15 -53.56 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 88' ' ' TYR . 6.1 ptp180 -123.78 157.74 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.441 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -99.4 30.8 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.441 ' O ' ' CD ' ' A' ' 86' ' ' ARG . 42.5 p90 -166.08 172.66 11.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.441 HG13 ' CE ' ' A' ' 14' ' ' LYS . 71.5 mt -137.2 122.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -74.89 131.49 40.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -126.9 108.12 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.573 HD11 ' HA3' ' A' ' 7' ' ' GLY . 40.9 tp -91.83 110.66 22.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.0 m -116.72 154.05 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' VAL . 89.8 m -131.96 107.87 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -73.93 119.9 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.765 HG11 HD21 ' A' ' 51' ' ' LEU . 73.6 t -114.11 136.61 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -107.2 100.73 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 51' ' ' LEU . 96.6 t -96.34 100.08 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 1.2 tmmm? -67.07 150.16 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 29.1 mttt -76.14 57.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -77.34 -37.75 51.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.01 127.76 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.6 -24.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.4 p -148.38 168.19 23.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.72 132.77 44.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.47 85.17 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 pt -134.95 144.15 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.42 145.31 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.44 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -143.39 176.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HG2' HG13 ' A' ' 37' ' ' VAL . 13.2 pt-20 -158.72 152.25 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.593 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 123.62 -140.77 13.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.72 148.28 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.13 -19.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -73.92 -55.65 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.593 HG21 ' HA2' ' A' ' 25' ' ' GLY . 11.1 t -70.12 173.28 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -51.23 -34.34 31.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -82.18 116.44 63.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.73 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.1 mm? -103.4 153.81 38.24 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.585 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.72 141.46 45.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.39 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.0 ttt180 -119.06 130.14 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 55' ' ' HIS . 62.4 mt -64.26 120.5 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.423 HG13 ' HG2' ' A' ' 24' ' ' GLU . 10.0 m -103.9 -30.26 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.6 m -146.8 136.41 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.699 HG13 HG22 ' A' ' 53' ' ' VAL . 58.8 mt -120.42 100.95 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.61 135.61 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HA ' ' CG ' ' A' ' 46' ' ' HIS . 44.5 mtt85 -61.86 -38.41 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.75 41.87 2.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.67 146.9 18.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.434 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.3 p -49.85 -31.79 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.47 90.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.05 -59.27 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.765 HD21 HG11 ' A' ' 10' ' ' VAL . 83.6 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.88 0.371 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG3' ' C ' ' A' ' 51' ' ' LEU . 51.5 mttt -151.56 153.64 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.699 HG22 HG13 ' A' ' 39' ' ' ILE . 79.6 t -66.6 109.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.23 2.18 4.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.2 m170 -76.53 172.63 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.489 HG12 HD23 ' A' ' 58' ' ' LEU . 99.5 t -132.69 110.51 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.487 HG21 ' CG2' ' A' ' 60' ' ' VAL . 22.2 mt -74.16 111.0 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.501 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.3 mt -97.93 -25.94 14.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -147.43 145.94 29.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.487 ' CG2' HG21 ' A' ' 57' ' ' ILE . 86.1 t -144.54 117.52 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.89 30.54 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.08 -28.92 9.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.22 120.64 24.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 142.64 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD13 ' HG3' ' A' ' 34' ' ' PRO . 51.3 mt -98.52 14.27 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HA ' HD11 ' A' ' 33' ' ' LEU . 4.0 ptt85 -55.15 -29.1 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.18 35.47 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -123.15 148.75 45.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 72' ' ' GLU . 41.2 mt-10 -91.88 152.36 20.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLU . 2.9 t-80 -37.13 -48.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -65.82 -39.88 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 4.1 tp10 -63.59 -40.17 96.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.484 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -66.19 -50.4 64.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.11 -38.07 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -73.96 -44.73 53.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 73' ' ' ALA . 73.5 mt -54.94 -50.54 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.18 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.26 -46.58 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -55.52 -34.78 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -28.13 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -76.29 -48.88 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 83' ' ' THR . 36.8 mtmt -58.7 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' LYS . 7.5 t -34.68 146.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -107.61 23.99 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -75.64 -36.01 60.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -145.5 154.81 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.14 29.46 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 5.1 p90 -161.03 169.06 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 82.9 mt -131.64 120.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.91 125.97 28.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -125.03 104.07 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.501 HD23 ' HB2' ' A' ' 58' ' ' LEU . 13.5 tp -85.02 104.81 15.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' THR . 27.3 m -116.76 155.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 94' ' ' THR . 8.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -115.5 104.25 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -67.35 128.76 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.731 ' N ' HD13 ' A' ' 9' ' ' LEU . 21.7 t -117.59 114.14 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -81.72 100.54 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.8 t -90.99 113.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -74.37 145.64 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -78.08 48.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -67.55 -44.33 78.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.84 131.29 40.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.38 -45.47 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.4 p -134.41 145.95 49.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.72 129.57 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.27 101.49 0.61 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.5 pt -144.53 153.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -130.46 141.96 50.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.422 HG22 ' C ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -141.19 177.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.412 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.2 pt-20 -156.03 176.31 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.696 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 93.35 -146.14 17.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.6 153.68 7.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -62.33 -59.79 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.696 HG21 ' HA2' ' A' ' 25' ' ' GLY . 9.9 t -74.77 162.47 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -42.14 -27.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.449 ' H ' HG23 ' A' ' 29' ' ' THR . 33.2 tp60 -85.17 113.24 49.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.28 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.9 mm? -99.64 155.87 36.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.778 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.3 Cg_endo -69.68 145.9 59.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.741 2.294 . . . . 0.0 112.327 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.422 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.7 ttt-85 -121.97 129.4 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.694 HD12 ' HB2' ' A' ' 55' ' ' HIS . 65.6 mt -63.44 115.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 19.2 m -102.01 -32.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 59.8 m -146.41 139.13 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -122.51 100.08 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -47.24 153.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 26.5 ttm180 -75.11 -28.99 60.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.04 46.88 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -124.9 131.99 7.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.489 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 22.4 p -34.96 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -65.47 -51.43 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 15.9 t-80 -49.74 -65.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' C ' ' HD3' ' A' ' 52' ' ' LYS . 67.8 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.869 0.366 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HD3' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -155.45 147.96 23.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.794 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.12 119.56 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' HA2' ' NH1' ' A' ' 35' ' ' ARG . . . 124.51 -1.39 8.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.694 ' HB2' HD12 ' A' ' 36' ' ' ILE . 26.6 m170 -76.22 171.92 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 34' ' ' PRO . 91.9 t -133.59 105.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CG2' HG23 ' A' ' 60' ' ' VAL . 44.6 mt -67.99 107.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.48 HD12 ' HG ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -94.24 -25.87 16.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -149.19 144.71 26.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.786 HG11 ' HA ' ' A' ' 77' ' ' ILE . 53.3 t -140.48 113.18 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t30 66.72 30.27 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.24 -27.86 12.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.55 119.03 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 t -78.33 138.71 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.778 HD13 ' HG3' ' A' ' 34' ' ' PRO . 95.2 mt -89.32 18.18 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -60.4 137.94 58.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.61 28.96 31.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -115.85 140.7 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.9 mt-10 -77.65 140.27 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -35.79 -44.47 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -59.32 -48.91 79.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -57.61 -39.43 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -65.25 -51.14 62.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.43 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -77.45 -40.74 42.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.75 -47.05 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.786 ' HA ' HG11 ' A' ' 60' ' ' VAL . 23.0 mt -61.68 -53.28 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.62 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -55.0 -31.55 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -27.32 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -81.7 -41.15 21.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.39 -49.81 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -48.11 149.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -104.41 27.55 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.77 -51.45 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -135.96 143.12 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 2.8 m-20 -81.26 41.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -173.17 179.39 2.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 89.5 mt -139.12 118.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.608 ' CB ' HD11 ' A' ' 9' ' ' LEU . 38.8 m-20 -77.25 110.04 11.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -102.61 106.32 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.48 ' HG ' HD12 ' A' ' 58' ' ' LEU . 12.0 tp -85.43 103.61 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.03 161.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 94' ' ' THR . 9.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -53.83 173.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -66.03 -45.58 80.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.39 98.56 1.08 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -74.08 -48.07 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -72.54 103.07 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.03 161.27 10.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 10' ' ' VAL . 60.9 m -132.4 104.4 6.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 111.165 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -56.97 124.64 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.675 ' N ' HD13 ' A' ' 9' ' ' LEU . 60.0 t -117.49 119.6 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.6 ttm105 -94.77 117.36 30.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.25 111.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.04 144.67 47.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG3' ' C ' ' A' ' 87' ' ' ASP . 13.3 mttm -75.51 57.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.7 t -67.69 -44.78 76.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 156.64 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.15 -25.19 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.6 p -150.65 131.74 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 tp -72.35 129.34 38.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.14 97.83 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 pt -139.53 144.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.68 141.44 52.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 pt -140.37 177.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' CD ' HG11 ' A' ' 37' ' ' VAL . 17.7 pt-20 -156.28 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -141.99 15.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 122.69 153.26 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.33 -63.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -41.4 -49.78 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 61.9 p -75.48 149.87 38.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 14.1 ptt85 -36.15 -41.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -79.99 116.52 61.83 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.578 0.704 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.2 mm? -96.88 149.96 36.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.532 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.75 138.98 39.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 58.4 ttt85 -116.22 130.79 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 55' ' ' HIS . 61.7 mt -64.1 116.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG11 ' CD ' ' A' ' 24' ' ' GLU . 5.7 m -101.45 -32.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -144.76 135.36 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.534 HG13 HG22 ' A' ' 53' ' ' VAL . 73.9 mt -118.29 101.78 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -49.74 148.27 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -67.97 -54.44 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.41 48.9 3.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.88 136.23 9.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 m -38.25 -53.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.02 -61.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -52.78 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -42.29 -30.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.2 t -74.4 -48.85 25.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.7 -30.5 4.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.529 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -49.86 -42.25 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.53 ' CD2' HG11 ' A' ' 10' ' ' VAL . 58.2 mt -88.39 158.63 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' H ' ' CE1' ' A' ' 55' ' ' HIS . 35.0 mtpt -136.39 167.13 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 39' ' ' ILE . 90.8 t -77.6 113.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.49 ' O ' ' CZ ' ' A' ' 35' ' ' ARG . . . 127.8 11.16 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.577 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 20.4 m170 -84.41 173.49 10.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 HD23 ' A' ' 58' ' ' LEU . 67.3 t -134.54 109.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG22 HD12 ' A' ' 65' ' ' LEU . 12.4 mt -74.12 112.64 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD23 HG12 ' A' ' 56' ' ' VAL . 1.7 mt -101.02 -25.56 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -150.74 136.66 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' A' ' 57' ' ' ILE . 56.4 t -130.85 112.42 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.7 29.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -33.39 6.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.79 115.95 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 64' ' ' THR . 0.1 OUTLIER -76.59 139.72 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.622 ' HB2' HD12 ' A' ' 33' ' ' LEU . 86.8 mt -94.57 16.94 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.37 131.05 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 27' ' ' ALA . . . 68.55 8.28 55.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -98.77 146.52 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.1 mt-10 -82.92 141.83 31.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -37.1 -45.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -54.36 47.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.51 -35.66 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.628 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -68.62 -51.56 40.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.1 -37.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -73.36 -42.87 61.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 73' ' ' ALA . 31.2 mt -57.68 -49.37 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.69 -51.54 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.33 -44.32 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.58 -33.37 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.53 -22.38 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.413 ' HA ' ' HZ2' ' A' ' 14' ' ' LYS . 5.0 t80 -84.0 -41.99 16.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -56.94 -59.24 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 t -39.71 157.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' ASP . 67.9 mttt -113.07 -28.98 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 84' ' ' LYS . 9.2 m-20 -35.98 -50.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -114.39 140.47 48.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 5.0 p-10 -100.47 39.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.425 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 4.2 p90 -167.15 172.71 9.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.404 ' CG1' ' NZ ' ' A' ' 14' ' ' LYS . 6.6 mt -133.9 125.58 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.516 ' CG ' HD21 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -77.29 127.26 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -126.12 103.96 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 58' ' ' LEU . 9.0 tp -87.85 109.82 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -119.48 161.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.425 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 1.9 t -120.28 -20.26 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.577 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 2.4 mt-10 59.3 45.26 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.425 ' CZ ' HG21 ' A' ' 94' ' ' THR . 11.9 m-85 -37.68 145.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -90.1 81.4 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 99' ' ' GLY . 78.5 p -75.9 129.98 37.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' SER . . . 36.04 80.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -17.84 37.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -42.57 -50.04 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.6 m -105.38 -64.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 m -62.48 120.2 10.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -103.77 166.85 10.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.16 -86.42 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 p -143.92 134.62 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -86.6 145.94 26.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 110.31 134.62 6.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -124.89 107.25 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -65.8 127.7 33.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.581 ' N ' HD13 ' A' ' 9' ' ' LEU . 39.5 t -118.22 105.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -80.03 112.18 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.431 HG12 ' HB2' ' A' ' 44' ' ' SER . 74.0 t -104.11 108.01 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.48 139.06 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 46.9 mttt -76.59 59.84 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -76.49 -40.72 49.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.36 -177.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.09 -40.9 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -142.06 165.55 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -93.71 113.42 25.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.11 104.88 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.4 pt -152.53 150.56 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.58 147.03 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.451 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.3 pt -145.88 176.53 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HG2' HG13 ' A' ' 37' ' ' VAL . 16.1 pt-20 -154.49 177.77 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.99 -147.71 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.74 ' O ' HG22 ' A' ' 29' ' ' THR . . . 135.95 151.59 6.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -18.77 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -86.27 14.72 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.9 t -148.42 174.83 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -48.55 -35.0 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.582 ' H ' HG23 ' A' ' 29' ' ' THR . 34.0 tp60 -89.73 109.89 35.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.596 0.712 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 31' ' ' GLN . 53.5 Cg_endo -69.71 -45.74 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.583 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.0 mm? -102.56 153.05 38.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.09 34.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' HG22 ' A' ' 23' ' ' ILE . 44.9 ttt-85 -115.11 130.09 56.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.459 HD12 ' HB2' ' A' ' 55' ' ' HIS . 58.3 mt -66.44 115.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.464 HG13 ' HG2' ' A' ' 24' ' ' GLU . 13.5 m -100.32 -30.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -148.51 135.08 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.18 103.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.11 128.78 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.603 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 22.8 ttt-85 -85.74 79.32 9.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.32 39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.13 -159.52 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.431 ' HB2' HG12 ' A' ' 12' ' ' VAL . 88.8 p -72.37 -36.65 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' HIS . . . -67.3 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.603 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 7.6 t60 -37.88 -56.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -48.51 -43.73 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' GLN . 5.6 t -75.58 68.72 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.78 -25.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' CYS . 32.0 tp60 -45.52 -41.91 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' CD2' HG11 ' A' ' 10' ' ' VAL . 91.9 mt -80.36 164.77 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -150.27 164.65 35.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.83 115.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.21 -0.1 7.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.459 ' HB2' HD12 ' A' ' 36' ' ' ILE . 16.0 m170 -73.79 173.36 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 HD23 ' A' ' 58' ' ' LEU . 67.6 t -135.66 106.88 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.517 HG21 ' CG2' ' A' ' 60' ' ' VAL . 29.4 mt -73.42 110.2 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.409 HD23 HG12 ' A' ' 56' ' ' VAL . 1.3 mt -93.52 -35.82 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -139.59 142.72 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.517 ' CG2' HG21 ' A' ' 57' ' ' ILE . 98.0 t -136.46 112.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.477 ' OD1' HG23 ' A' ' 89' ' ' ILE . 4.8 m120 61.36 33.33 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.66 -30.57 7.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.684 HD22 HG23 ' A' ' 76' ' ' ILE . 4.9 mp -66.7 131.85 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.583 ' HB2' HD12 ' A' ' 33' ' ' LEU . 78.8 mt -110.54 1.78 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' HA ' HD11 ' A' ' 33' ' ' LEU . 12.4 ptt180 -48.36 -29.65 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.86 32.4 3.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 57.3 mmtt -116.18 147.02 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' GLU . 30.8 mt-10 -89.72 145.11 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.452 ' C ' ' O ' ' A' ' 69' ' ' GLU . 1.8 t-80 -34.37 -42.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -67.8 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.0 tt0 -59.4 -39.93 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.77 -38.32 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.19 -46.25 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.684 HG23 HD22 ' A' ' 63' ' ' LEU . 79.4 mt -53.44 -50.09 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.35 -49.65 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.59 -44.87 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -56.97 -31.77 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -15.22 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -94.43 -40.1 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -59.16 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 t -40.67 147.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ASP . 3.9 tmtm? -96.66 -38.26 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' LYS . 26.1 t70 -37.86 -59.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -88.65 129.46 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -101.79 36.34 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.477 ' N ' ' HE3' ' A' ' 14' ' ' LYS . 54.6 p90 -173.73 -179.11 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.477 HG23 ' OD1' ' A' ' 61' ' ' ASN . 74.8 mt -144.98 118.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.763 ' HB3' HD11 ' A' ' 9' ' ' LEU . 79.2 m-20 -74.39 128.68 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -122.88 103.3 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.434 HD11 ' HA3' ' A' ' 7' ' ' GLY . 11.8 tp -87.94 102.32 14.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.7 m -111.37 162.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 94' ' ' THR . 10.0 t -146.19 106.11 4.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -61.59 81.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' THR . 17.0 m-85 -57.79 94.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -137.54 128.35 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 t -125.84 90.6 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.34 167.94 13.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -36.73 10.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.314 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 p -128.6 111.53 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 103' ' ' GLY . 26.6 p -115.24 148.43 39.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 102' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p 38.73 41.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -52.94 121.4 7.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.23 -125.3 6.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -104.85 111.08 23.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -104.23 134.03 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.507 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 125.17 152.53 8.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -132.38 101.86 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.626 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -61.16 125.47 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.626 ' N ' HD13 ' A' ' 9' ' ' LEU . 24.1 t -117.47 116.68 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -85.27 103.38 14.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.6 t -90.44 111.94 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.49 141.26 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 60.5 mttt -76.61 49.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -67.04 -46.71 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.85 153.15 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.09 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -125.18 143.12 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.23 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.41 87.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.582 HD11 HG21 ' A' ' 77' ' ' ILE . 27.6 pt -149.25 144.32 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.13 140.18 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.73 176.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' CD ' HG11 ' A' ' 37' ' ' VAL . 26.5 pt-20 -156.09 153.61 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.673 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 114.93 -147.45 18.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 138.28 147.83 5.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.86 -24.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLY . 16.7 t-20 -69.11 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.673 HG21 ' HA2' ' A' ' 25' ' ' GLY . 3.6 t -60.88 178.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' OG1' ' A' ' 29' ' ' THR . 20.8 ttm-85 -57.65 -29.19 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -85.66 116.38 65.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.72 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 66' ' ' ARG . 2.8 mm? -101.06 154.84 36.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.41 47.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' C ' HG22 ' A' ' 23' ' ' ILE . 43.4 ttt180 -120.14 130.15 54.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 55' ' ' HIS . 64.3 mt -64.91 122.59 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.419 HG11 ' CD ' ' A' ' 24' ' ' GLU . 7.8 m -106.57 -30.71 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -145.86 139.78 26.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.765 HG13 HG22 ' A' ' 53' ' ' VAL . 70.0 mt -121.75 100.51 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -43.77 137.63 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 31.2 ttt180 -66.68 -56.31 11.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.99 51.27 2.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.21 172.2 22.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -70.74 -50.91 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.3 -50.14 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.6 t-160 -61.15 -57.8 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -43.14 -48.87 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.7 m -79.62 87.3 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.67 -20.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.458 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -43.21 -26.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.485 ' HG ' HG11 ' A' ' 10' ' ' VAL . 23.3 mt -110.37 164.77 12.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -150.17 155.49 39.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.765 HG22 HG13 ' A' ' 39' ' ' ILE . 54.4 t -66.98 107.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.55 -7.04 3.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.465 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -67.7 174.13 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.482 HG12 HD23 ' A' ' 58' ' ' LEU . 94.9 t -135.27 108.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 65' ' ' LEU . 20.0 mt -72.47 116.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 56' ' ' VAL . 2.0 mt -103.1 -27.62 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -147.26 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.41 111.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 59.32 35.22 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.38 -30.96 7.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.0 131.55 45.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.05 145.07 26.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 91.7 mt -112.08 6.29 19.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.617 ' HA ' HD11 ' A' ' 33' ' ' LEU . 11.9 ptt180 -50.45 -35.6 29.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.09 38.97 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.543 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -121.53 148.01 45.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' GLU . 27.4 mt-10 -93.75 146.51 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.564 ' CE1' HG13 ' A' ' 23' ' ' ILE . 8.3 t60 -35.96 -42.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.425 ' CD ' ' C ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -66.82 -47.02 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.7 tt0 -61.7 -41.59 97.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.39 -47.63 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.03 -38.03 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -73.87 -45.67 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.9 mt -54.44 -49.16 67.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 21' ' ' ILE . 20.8 mt -59.54 -49.96 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.09 -45.2 75.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.93 -32.33 65.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -29.55 66.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.79 -41.53 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.22 -57.76 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -38.67 149.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -105.74 25.59 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.21 -66.58 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.2 ptp180 -113.04 144.91 41.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -87.03 38.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 14.0 p90 -170.33 -179.53 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.4 mt -142.13 121.42 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.91 118.5 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.402 ' CZ ' HG23 ' A' ' 77' ' ' ILE . 55.9 m-85 -116.36 106.34 13.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.507 HD11 ' HA3' ' A' ' 7' ' ' GLY . 9.8 tp -86.67 104.04 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.57 162.45 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 94' ' ' THR . 5.5 t -149.96 105.4 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.7 91.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -61.42 150.57 35.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -121.77 120.86 35.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.7 p -135.46 126.43 27.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.15 84.69 0.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.431 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.68 10.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.2 p 45.98 51.91 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.4 p -137.71 157.71 45.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -167.43 157.7 10.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -49.97 -52.7 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.74 -130.17 10.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -138.7 170.27 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -96.83 129.52 44.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.85 144.72 4.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -116.29 115.43 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.159 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.512 HD13 ' N ' ' A' ' 10' ' ' VAL . 1.2 tm? -64.56 119.51 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.512 ' N ' HD13 ' A' ' 9' ' ' LEU . 49.0 t -108.36 138.65 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -108.05 109.01 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.97 108.35 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.0 145.04 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.2 mttt -76.43 54.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -59.94 -41.86 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.13 177.65 8.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.32 20.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.8 p -140.45 153.29 46.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 tp -84.86 140.59 31.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.546 ' C ' ' NE2' ' A' ' 40' ' ' GLN . . . -138.14 88.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.576 ' N ' HE22 ' A' ' 40' ' ' GLN . 6.2 pt -139.79 149.34 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.87 142.69 51.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.442 HG22 ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -140.4 176.44 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' CD ' HG11 ' A' ' 37' ' ' VAL . 18.6 pt-20 -158.43 151.52 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.97 -144.4 16.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.14 153.74 8.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.5 -58.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -46.85 -48.37 21.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ARG . 44.7 p -76.18 150.78 37.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' THR . 7.2 tpt180 -35.88 -44.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -77.38 116.47 58.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.74 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.5 mm? -101.03 155.24 36.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.706 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.74 138.56 38.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' C ' HG22 ' A' ' 23' ' ' ILE . 22.9 ttp180 -117.33 126.36 52.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 55' ' ' HIS . 48.5 mt -64.67 115.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.408 HG11 ' CD ' ' A' ' 24' ' ' GLU . 11.2 m -101.65 -30.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.2 m -148.37 138.1 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.5 mt -121.38 96.88 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.576 HE22 ' N ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -53.11 139.54 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.98 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 44.1 mtp180 -78.13 167.69 21.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.0 -37.27 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.2 -171.93 2.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.4 p -77.69 -39.48 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . . . -51.15 -59.45 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.8 t-160 -56.02 -45.94 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -44.3 -51.27 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.2 m -82.58 85.44 6.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.49 -23.51 0.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -40.88 -53.35 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.9 mt -75.38 166.85 22.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -151.49 158.65 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.65 116.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.96 4.18 8.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.532 ' HB2' HD12 ' A' ' 36' ' ' ILE . 10.7 m170 -76.32 176.83 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.431 HG12 HD23 ' A' ' 58' ' ' LEU . 66.1 t -136.25 106.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.43 HG21 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -73.95 110.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.2 mt -97.32 -26.07 15.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -147.19 144.41 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.569 HG11 ' HA ' ' A' ' 77' ' ' ILE . 46.0 t -139.9 116.95 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.3 t30 60.43 31.54 20.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.8 -31.28 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.16 117.12 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.49 132.82 39.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.706 HD13 ' HG3' ' A' ' 34' ' ' PRO . 56.7 mt -84.4 14.34 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -60.93 134.1 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.08 23.95 62.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -112.21 141.46 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.1 mt-10 -78.64 141.2 38.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.7 OUTLIER -34.44 -46.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.04 -55.51 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.86 -38.51 35.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -68.51 -49.33 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.33 -33.82 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -78.03 -43.6 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 73' ' ' ALA . 47.0 mt -57.76 -47.03 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.569 ' HA ' HG11 ' A' ' 60' ' ' VAL . 32.6 mt -60.33 -52.57 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.96 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.65 -29.32 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -72.43 -20.77 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 5.9 t80 -86.99 -40.93 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' THR . 35.7 mttm -61.66 -63.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' LYS . 12.8 t -36.62 149.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -107.13 29.77 6.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -77.43 -49.75 14.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -135.77 144.96 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.26 39.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 86' ' ' ARG . 25.3 p90 -169.29 174.37 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.426 HG12 ' HB1' ' A' ' 80' ' ' ALA . 94.9 mt -135.36 119.22 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.85 114.38 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -111.48 104.16 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 58' ' ' LEU . 10.2 tp -83.99 112.17 19.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.92 163.87 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t -125.5 -15.33 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 96' ' ' PHE . 2.5 tm-20 43.91 52.27 6.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 95' ' ' GLU . 16.2 m-85 -37.66 139.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -54.83 -52.08 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -95.58 137.78 34.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.35 83.07 0.12 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 147.19 62.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -126.93 169.0 13.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.9 t -132.05 104.84 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -63.26 -42.66 99.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -81.05 91.65 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.98 171.4 16.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -154.04 128.3 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -88.19 153.52 21.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . -177.18 150.3 10.1 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.45 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.1 m -129.32 110.02 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -73.99 121.33 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.653 ' N ' HD13 ' A' ' 9' ' ' LEU . 59.2 t -115.55 122.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -96.72 102.12 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -97.09 115.7 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -76.24 132.99 40.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.588 ' HD2' ' CD1' ' A' ' 81' ' ' PHE . 4.8 mtmp? -75.83 51.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -77.72 -29.97 51.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 155.69 39.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.78 75.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -149.81 151.49 33.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 20' ' ' GLY . 2.1 tt -82.34 144.03 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.765 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -147.68 87.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.648 HD11 HG21 ' A' ' 77' ' ' ILE . 24.6 pt -135.21 132.4 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.7 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.444 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.4 pt -144.38 175.9 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -151.65 -179.95 7.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 79.99 -157.38 41.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 29' ' ' THR . . . 142.53 153.82 6.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.76 -24.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' GLY . 27.6 t-20 -90.26 40.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 26' ' ' GLY . 10.6 t -174.92 162.6 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' HD3' ' C ' ' A' ' 30' ' ' ARG . 2.7 tmt_? -37.45 -35.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -93.12 112.14 54.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.9 mm? -99.3 154.8 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.719 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.77 139.81 41.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' C ' HG22 ' A' ' 23' ' ' ILE . 46.3 ttp85 -117.91 127.04 53.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.89 112.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.57 -29.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 m -147.1 141.63 26.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.5 mt -122.77 97.8 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -51.04 129.21 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -60.39 144.39 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . 91.12 -51.55 3.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' GLY . . . -35.06 147.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 p -45.59 -27.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ASN . 3.2 t-160 -60.85 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' HIS . 41.5 t-20 -35.89 -52.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.26 -45.13 89.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.12 -25.6 6.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.539 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -45.45 -30.66 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -93.04 166.88 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -147.51 141.24 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.02 113.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.54 0.37 6.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.02 176.35 8.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.441 HG12 HD23 ' A' ' 58' ' ' LEU . 97.1 t -137.65 109.53 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.552 HG21 ' CG2' ' A' ' 60' ' ' VAL . 28.9 mt -74.15 109.16 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.441 HD23 HG12 ' A' ' 56' ' ' VAL . 1.1 mt -95.2 -25.98 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -150.42 144.09 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.552 ' CG2' HG21 ' A' ' 57' ' ' ILE . 88.6 t -141.36 124.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 57.33 31.01 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.8 -29.25 8.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -78.49 117.85 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -79.76 143.16 34.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.719 HD13 ' HG3' ' A' ' 34' ' ' PRO . 80.7 mt -99.68 10.21 41.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.563 ' HA ' HD11 ' A' ' 33' ' ' LEU . 3.4 ppt_? -43.93 -37.21 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' HD2' ' A' ' 66' ' ' ARG . . . -124.97 43.24 1.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -125.48 142.28 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 23.6 mt-10 -84.24 144.9 28.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 69' ' ' GLU . 1.7 t-80 -34.56 -41.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.412 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 3.1 tmt_? -67.85 -50.13 58.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 69' ' ' GLU . 7.1 tp10 -57.59 -37.51 73.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -67.02 -54.47 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.76 -35.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.69 -45.81 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' ALA . 61.3 mt -54.28 -49.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.648 HG21 HD11 ' A' ' 21' ' ' ILE . 22.1 mt -60.53 -49.35 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.19 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -58.16 -30.9 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.84 -23.8 62.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.588 ' CD1' ' HD2' ' A' ' 14' ' ' LYS . 2.9 t80 -81.0 -40.41 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -59.02 -60.77 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -38.74 145.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -100.59 -30.79 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -39.45 -59.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.418 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 38.7 ttm-85 -89.5 140.17 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.66 25.98 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 33.6 p90 -168.09 172.43 8.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.404 HD11 ' HD1' ' A' ' 81' ' ' PHE . 87.6 mt -129.78 116.03 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' C ' ' OD1' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.78 130.33 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -128.32 102.75 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.448 HD11 ' HA3' ' A' ' 7' ' ' GLY . 12.1 tp -84.25 104.84 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -114.31 157.44 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 94' ' ' THR . 10.0 t -141.95 106.51 4.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.52 80.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.08 90.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -38.79 115.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.1 p -174.51 136.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -135.01 146.18 18.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 128.05 15.51 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.629 2.22 . . . . 0.0 112.397 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.1 t -120.31 94.65 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.3 m -134.13 133.36 40.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -131.87 42.03 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -150.42 151.36 32.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.82 48.75 63.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -153.62 147.84 25.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -139.12 107.2 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.564 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 177.28 132.74 1.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.451 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 m -111.45 107.3 16.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -61.01 121.72 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.62 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.8 t -113.25 106.18 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.405 HH11 ' CB ' ' A' ' 11' ' ' ARG . 5.8 ttp-105 -83.1 107.03 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.83 99.4 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -69.02 142.18 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.3 mttt -68.98 83.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -93.63 -46.62 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -175.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.21 -40.36 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -153.25 131.78 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.9 140.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.54 99.54 0.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 pt -146.14 148.39 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.09 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.68 149.75 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.427 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -144.16 175.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' HG2' HG13 ' A' ' 37' ' ' VAL . 18.4 pt-20 -155.84 146.6 22.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 -154.76 20.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.07 142.37 3.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -64.09 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 p -56.26 174.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -51.56 -48.91 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -76.5 116.53 57.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.701 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.9 mm? -99.64 154.55 37.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.81 134.21 27.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' C ' HG22 ' A' ' 23' ' ' ILE . 21.5 ttm180 -114.39 127.36 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 55' ' ' HIS . 57.8 mt -60.07 124.51 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.466 HG13 ' HG2' ' A' ' 24' ' ' GLU . 10.1 m -109.56 -30.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -150.12 134.71 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.554 HG13 HG22 ' A' ' 53' ' ' VAL . 64.5 mt -112.96 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -46.21 137.67 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.461 HH21 ' CD2' ' A' ' 46' ' ' HIS . 2.2 tpm_? -65.3 -46.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.93 65.71 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.63 159.76 28.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -56.34 -49.11 75.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.32 -38.05 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.461 ' CD2' HH21 ' A' ' 41' ' ' ARG . 10.4 t-160 -76.77 -48.63 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -48.17 -58.51 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 49' ' ' GLY . 21.7 p -50.46 -46.71 56.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.415 ' N ' ' SG ' ' A' ' 48' ' ' CYS . . . 81.91 -34.16 2.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -42.19 -47.29 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.956 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.62 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.2 mt -74.72 162.95 28.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -148.61 156.46 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.554 HG22 HG13 ' A' ' 39' ' ' ILE . 95.6 t -66.08 118.72 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.16 -4.93 7.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.621 ' HB2' HD12 ' A' ' 36' ' ' ILE . 26.5 m170 -73.1 170.72 14.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.475 HG12 HD23 ' A' ' 58' ' ' LEU . 87.7 t -136.09 112.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.441 HG21 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -75.57 113.38 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 56' ' ' VAL . 1.8 mt -98.0 -30.15 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.75 140.6 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG2' HG21 ' A' ' 57' ' ' ILE . 85.3 t -131.39 116.8 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.64 32.69 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.25 -32.47 6.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.38 128.95 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -85.54 143.07 28.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.668 ' HB2' HD12 ' A' ' 33' ' ' LEU . 87.6 mt -109.33 5.36 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.477 ' HA ' HD11 ' A' ' 33' ' ' LEU . 10.8 ptt180 -50.02 -38.74 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.82 42.15 1.85 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -124.9 146.97 49.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.9 mt-10 -90.49 143.9 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 69' ' ' GLU . 2.6 t-80 -34.69 -41.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -49.25 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -59.06 -39.86 83.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.38 63.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.91 -39.83 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -71.97 -46.04 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.7 mt -53.92 -50.42 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.2 -50.61 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.49 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -56.68 -31.59 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.53 -28.13 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -79.61 -44.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' THR . 62.8 mttt -58.87 -60.52 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' LYS . 9.8 t -36.97 145.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -102.02 -18.13 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -52.86 -54.93 27.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 25.0 ttm180 -104.35 118.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.08 41.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.535 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 43.0 p90 -174.93 175.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.1 mt -137.44 121.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.456 ' CB ' HD11 ' A' ' 9' ' ' LEU . 25.6 m-20 -81.15 121.55 26.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -116.86 105.71 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.564 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.2 tp -87.84 110.73 20.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.45 159.99 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.487 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 6.6 t -125.33 -8.91 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 96' ' ' PHE . 19.8 tt0 42.5 49.9 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 94' ' ' THR . 18.7 m-85 -36.33 125.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -115.66 94.89 4.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -70.57 -56.48 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 167.41 -154.63 25.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 90.99 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.75 2.3 . . . . 0.0 112.329 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.1 m -65.57 146.16 55.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 p -47.03 -47.69 22.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -159.15 113.58 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -82.42 137.02 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.4 -66.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -69.36 98.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 m -48.39 141.77 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.36 161.66 11.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.6 m -134.77 124.47 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -77.71 119.81 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.558 ' N ' HD13 ' A' ' 9' ' ' LEU . 92.3 t -110.76 110.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -83.5 106.35 15.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.65 111.83 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 145.13 43.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 30.5 mttm -78.2 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -59.2 -45.97 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.68 174.74 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.69 -23.81 29.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 t -154.19 130.89 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.89 109.66 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.93 111.1 3.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 77' ' ' ILE . 42.9 pt -149.51 155.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.88 150.89 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.43 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -145.7 175.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' OE1' HG11 ' A' ' 37' ' ' VAL . 19.4 pt-20 -156.55 137.83 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.538 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 135.54 -158.02 23.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 145.52 145.4 4.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.01 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLY . 5.4 t-20 -72.54 -63.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.538 HG21 ' HA2' ' A' ' 25' ' ' GLY . 14.8 t -62.65 172.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -50.54 -34.02 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.531 ' H ' HG23 ' A' ' 29' ' ' THR . 27.5 tp60 -85.06 116.32 64.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.8 Cg_endo -69.75 -47.31 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.8 mm? -103.68 155.03 37.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.73 140.08 41.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' HG22 ' A' ' 23' ' ' ILE . 35.5 ttp180 -117.49 127.87 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.611 HD12 ' HB2' ' A' ' 55' ' ' HIS . 53.1 mt -63.71 112.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.493 HG11 ' OE1' ' A' ' 24' ' ' GLU . 10.6 m -98.72 -30.47 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 100.0 m -147.97 136.33 21.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 53' ' ' VAL . 65.3 mt -120.09 104.35 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -52.47 130.87 32.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 9.1 mpt_? -64.29 -40.52 96.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.97 55.78 4.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.43 -175.33 20.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -36.1 38.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.4 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 12.0 t-80 -77.67 -48.66 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -49.5 -62.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.8 p -44.32 -47.01 9.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.11 -26.28 4.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -47.78 -39.8 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.489 ' HG ' HG11 ' A' ' 10' ' ' VAL . 36.3 mt -87.14 170.62 11.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -148.52 164.35 34.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 39' ' ' ILE . 78.5 t -77.08 108.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.94 4.75 3.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.611 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -78.01 177.07 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.508 HG12 HD23 ' A' ' 58' ' ' LEU . 97.5 t -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.3 mt -74.51 113.22 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.508 HD23 HG12 ' A' ' 56' ' ' VAL . 1.7 mt -100.07 -25.87 14.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -147.27 144.52 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.8 t -138.25 109.58 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.4 30.91 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -34.87 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.52 116.44 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.497 HG21 ' HD3' ' A' ' 66' ' ' ARG . 8.0 t -81.76 140.1 34.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD13 ' HG3' ' A' ' 34' ' ' PRO . 61.3 mt -95.62 14.59 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.569 ' HA ' HD11 ' A' ' 33' ' ' LEU . 14.6 ptt85 -51.84 -39.89 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.25 34.34 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -119.76 147.83 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' HIS . 29.6 mt-10 -90.09 145.99 24.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' GLU . 1.7 t-80 -34.94 -44.72 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -50.68 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' GLU . 4.3 tp10 -56.8 -35.36 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.96 -50.97 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.38 -35.32 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -75.93 -46.09 31.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.9 -48.72 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.422 HG21 HD11 ' A' ' 21' ' ' ILE . 26.0 mt -59.57 -52.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.58 68.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.59 -30.13 68.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.28 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.504 ' HD1' HD11 ' A' ' 89' ' ' ILE . 4.0 t80 -94.61 -38.08 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' THR . 20.4 mttp -63.13 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' LYS . 10.0 t -36.56 143.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -91.89 -30.3 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -43.34 -63.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.2 ttm105 -90.19 129.47 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.45 24.48 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.487 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 10.5 p90 -162.11 173.72 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.504 HD11 ' HD1' ' A' ' 81' ' ' PHE . 43.6 mt -131.41 122.52 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.425 ' CG ' HD11 ' A' ' 9' ' ' LEU . 58.4 m-20 -81.77 118.88 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -114.4 107.9 16.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 6.2 tp -89.63 107.73 19.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.04 161.19 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 t -118.14 -19.02 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.54 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 2.6 mt-10 55.1 53.98 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -40.22 147.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -73.42 82.87 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.8 t -45.41 166.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.3 -81.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.12 25.73 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 p -71.04 141.05 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.1 m -136.9 141.8 42.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -131.41 126.87 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -66.22 -53.12 40.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.48 -144.27 17.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -107.06 131.25 54.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -58.52 114.41 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 167.93 153.66 8.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -127.33 114.84 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -78.84 121.62 25.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.677 ' N ' HD13 ' A' ' 9' ' ' LEU . 38.4 t -119.69 106.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG3' ' CD1' ' A' ' 88' ' ' TYR . 29.6 ttm180 -85.36 102.11 13.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -94.05 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.49 145.91 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 40.1 mttm -75.4 62.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -48.47 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.86 168.21 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.75 -29.32 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.66 153.61 28.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.5 tp -73.89 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.96 99.14 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.3 pt -150.66 147.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.07 49.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.437 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.1 pt -143.83 176.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.5 pt-20 -159.65 144.6 15.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.97 -146.02 17.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.28 152.45 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.97 -47.05 16.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.325 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -56.53 -45.8 80.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ARG . 71.1 p -76.72 155.42 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' THR . 11.9 ttm180 -36.16 -51.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.24 116.43 46.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 66' ' ' ARG . 2.8 mm? -100.65 150.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.453 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.6 Cg_endo -69.75 136.48 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' C ' HG22 ' A' ' 23' ' ' ILE . 32.7 ttt180 -114.17 130.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.48 117.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.406 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 16.1 m -101.61 -33.78 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.9 m -142.34 135.88 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.4 mt -119.5 101.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.07 145.57 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.42 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -70.0 -50.0 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.33 47.9 3.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.75 148.35 16.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.1 p -52.44 -25.72 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.59 -58.25 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.42 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 13.4 t-160 -48.17 -63.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' HIS . 29.0 m120 -36.65 -50.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.4 t -57.71 -51.2 70.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.62 -29.61 3.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -46.78 -28.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.629 ' HG ' HG11 ' A' ' 10' ' ' VAL . 9.3 mt -94.52 168.92 10.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -148.76 161.08 42.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.9 t -73.89 108.63 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.45 -4.07 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -71.12 170.22 13.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG12 HD23 ' A' ' 58' ' ' LEU . 79.7 t -131.63 110.1 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG22 HD12 ' A' ' 65' ' ' LEU . 28.3 mt -72.96 109.9 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.584 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.1 mt -96.79 -28.09 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.516 ' HB3' HD23 ' A' ' 92' ' ' LEU . 21.7 tt0 -144.01 140.08 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.463 ' CG2' HG21 ' A' ' 57' ' ' ILE . 73.0 t -132.96 124.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.43 ' ND2' ' HB1' ' A' ' 80' ' ' ALA . 2.6 m120 49.44 31.78 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.04 -32.29 7.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.7 mm? -64.95 152.43 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.89 146.91 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.529 ' HB2' HD12 ' A' ' 33' ' ' LEU . 79.4 mt -115.7 4.79 14.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.576 ' HA ' HD11 ' A' ' 33' ' ' LEU . 12.6 ptt180 -51.91 -38.66 57.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.72 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -121.65 143.93 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.4 mt-10 -86.24 145.35 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 69' ' ' GLU . 1.9 t-80 -34.28 -43.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -65.0 -47.16 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.6 tp10 -57.9 -43.97 86.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -60.62 -49.72 76.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.37 -37.55 5.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.075 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -73.68 -46.14 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 73' ' ' ALA . 61.0 mt -53.84 -49.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.37 -54.91 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.33 -47.8 46.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.49 -29.61 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.43 ' HB1' ' ND2' ' A' ' 61' ' ' ASN . . . -72.25 -24.45 61.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.9 -46.53 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -52.4 -53.97 38.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -42.5 142.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -100.97 -14.03 18.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.38 -56.37 22.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.6 ttm180 -92.7 158.67 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -118.96 23.8 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.524 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 5.7 p90 -162.62 166.62 24.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.458 HG21 ' CZ ' ' A' ' 91' ' ' PHE . 35.8 mt -125.86 116.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 1.1 t0 -67.83 127.35 32.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CZ ' HG21 ' A' ' 89' ' ' ILE . 65.8 m-85 -128.38 102.48 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 59' ' ' GLU . 9.8 tp -88.21 112.57 22.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.33 163.53 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.584 ' CG2' HD11 ' A' ' 58' ' ' LEU . 6.1 t -151.47 106.74 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.15 83.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -56.71 140.0 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -49.68 -55.6 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.4 t -58.99 145.81 40.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 130.75 -78.55 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -49.7 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 98.2 p -43.6 128.72 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t -79.78 127.08 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -156.68 142.22 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.355 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -141.31 138.45 33.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.88 46.22 2.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 p -90.22 154.78 19.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 m -151.38 134.52 15.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.545 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 150.01 126.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -107.52 104.26 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.83 115.56 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.671 HG11 ' HG ' ' A' ' 51' ' ' LEU . 55.7 t -110.21 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -79.19 104.6 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.451 HG12 ' OG ' ' A' ' 44' ' ' SER . 89.1 t -98.94 104.74 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -76.26 140.06 41.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 70.5 mttt -67.27 86.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -97.03 -50.57 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.67 168.76 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -37.59 74.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.464 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . 9.5 t -161.7 140.62 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.65 HD22 HD12 ' A' ' 89' ' ' ILE . 34.2 tp -54.23 153.27 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.461 ' C ' ' NE2' ' A' ' 40' ' ' GLN . . . -158.69 89.0 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.768 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -135.66 136.28 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.112 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -107.16 150.78 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.446 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.3 pt -145.63 177.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -152.16 -177.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.616 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 81.09 -143.19 23.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.46 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 121.42 152.63 8.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -34.29 -48.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -42.8 -56.77 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.616 HG21 ' HA2' ' A' ' 25' ' ' GLY . 14.7 t -82.71 170.44 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt-85 -47.21 -34.84 6.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.524 ' H ' HG23 ' A' ' 29' ' ' THR . 36.3 tp60 -78.7 112.87 30.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.6 mm? -95.88 152.34 38.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' HG13 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.74 143.27 50.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' C ' HG22 ' A' ' 23' ' ' ILE . 61.0 ttt-85 -118.67 129.62 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' A' ' 55' ' ' HIS . 59.1 mt -62.77 125.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -113.26 -31.93 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.447 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 51.5 m -144.83 137.06 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG13 HG22 ' A' ' 53' ' ' VAL . 47.4 mt -118.24 97.92 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.461 ' NE2' ' C ' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -57.54 120.95 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -53.92 -36.01 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.32 48.62 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 160.37 28.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.451 ' OG ' HG12 ' A' ' 12' ' ' VAL . 4.4 p -65.57 -14.23 60.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.85 -46.76 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' HB2' HG22 ' A' ' 39' ' ' ILE . 6.4 t-160 -85.69 28.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -116.69 -30.14 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 t -80.62 -57.13 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.51 -27.69 17.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -57.47 -26.42 61.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.671 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.6 mt -90.61 161.78 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 34.8 mmtt -143.69 168.53 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.519 HG22 HG13 ' A' ' 39' ' ' ILE . 83.3 t -82.65 110.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.94 -12.1 4.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.634 ' HB2' HD12 ' A' ' 36' ' ' ILE . 24.2 m170 -59.79 175.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 HD23 ' A' ' 58' ' ' LEU . 93.5 t -135.57 109.17 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' HD12 ' A' ' 65' ' ' LEU . 21.0 mt -72.02 110.67 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.492 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.3 mt -96.17 -28.41 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -145.81 147.33 31.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 77' ' ' ILE . 94.2 t -134.49 109.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 59.93 33.13 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.47 -33.54 6.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.508 HD22 HG23 ' A' ' 76' ' ' ILE . 6.0 mp -65.36 135.99 55.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.58 130.71 35.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.55 ' HB2' HD12 ' A' ' 33' ' ' LEU . 73.6 mt -93.19 8.47 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.05 129.0 38.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.97 19.1 71.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HD2' ' CG ' ' A' ' 72' ' ' GLU . 36.1 mmtt -106.45 135.73 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.289 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.26 148.49 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.419 ' CD2' HG13 ' A' ' 23' ' ' ILE . 1.3 t-80 -42.62 -45.0 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -36.6 84.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' CG ' ' HD2' ' A' ' 68' ' ' LYS . 3.7 tp10 -62.44 -44.61 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.28 87.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.72 -33.39 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -80.41 -38.54 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.508 HG23 HD22 ' A' ' 63' ' ' LEU . 71.1 mt -64.43 -45.51 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.578 ' HA ' HG11 ' A' ' 60' ' ' VAL . 19.9 mt -61.46 -49.47 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.53 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.3 -30.0 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.86 -24.3 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.464 ' CE2' ' HA ' ' A' ' 18' ' ' THR . 7.9 t80 -86.79 -41.58 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -55.49 -57.15 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 t -40.6 143.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -93.76 -37.78 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.98 -64.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.5 ttt180 -82.06 126.47 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.04 25.82 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -163.67 166.05 22.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.65 HD12 HD22 ' A' ' 19' ' ' LEU . 66.3 mt -125.82 109.25 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.74 108.88 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -105.28 103.17 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.545 HD11 ' HA3' ' A' ' 7' ' ' GLY . 9.9 tp -87.4 107.48 18.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 55' ' ' HIS . 25.2 m -114.6 159.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 94' ' ' THR . 7.3 t -145.41 105.84 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.17 81.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -55.3 -44.12 75.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -154.33 124.68 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -61.97 -66.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.08 -161.67 13.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 112.21 3.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.391 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.0 p -64.99 -46.29 82.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.6 t -65.54 -49.45 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -43.83 103.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -43.49 150.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.84 -161.16 28.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.9 p -43.78 162.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.841 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -156.03 168.88 25.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.14 132.35 0.67 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.8 m -110.9 104.46 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.473 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -66.38 116.61 7.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.645 HG11 ' HG ' ' A' ' 51' ' ' LEU . 55.7 t -110.11 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 22.9 ttm105 -80.92 112.97 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -105.25 105.0 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -70.99 130.9 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 43.2 mttm -60.86 75.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LYS . 9.6 t -93.74 -42.54 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.78 172.59 5.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.88 -41.29 23.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.1 p -145.75 127.24 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.6 tp -54.46 137.11 43.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.87 87.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.2 pt -141.36 144.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.62 145.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.575 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.1 pt -140.51 176.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HG2' HG13 ' A' ' 37' ' ' VAL . 17.1 pt-20 -153.34 -176.2 5.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.701 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 87.35 -146.81 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.11 155.2 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.08 -29.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -62.31 -57.12 12.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.701 HG21 ' HA2' ' A' ' 25' ' ' GLY . 10.6 t -77.47 162.49 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' NH1' ' OE1' ' A' ' 31' ' ' GLN . 1.1 tmt_? -44.26 -22.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.526 ' H ' HG23 ' A' ' 29' ' ' THR . 28.6 tp60 -88.89 110.95 41.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.7 mm? -97.44 154.59 37.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.7 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.76 145.28 56.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt180 -121.94 131.5 54.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.865 HD12 ' HB2' ' A' ' 55' ' ' HIS . 73.2 mt -64.97 117.5 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 24' ' ' GLU . 14.9 m -103.22 -34.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 84.6 m -142.52 135.4 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.433 HG22 ' HB2' ' A' ' 46' ' ' HIS . 88.7 mt -120.88 100.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.52 135.3 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -63.11 -46.4 87.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.46 56.74 5.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.49 155.91 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.3 p -55.85 -35.45 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HB2' HG22 ' A' ' 39' ' ' ILE . 2.5 t-160 -54.29 -47.61 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -39.59 -45.34 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.15 -45.11 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.37 -25.83 6.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -45.24 -44.76 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.645 ' HG ' HG11 ' A' ' 10' ' ' VAL . 8.7 mt -81.1 174.84 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -149.61 167.95 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.2 120.49 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.57 -6.99 10.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.865 ' HB2' HD12 ' A' ' 36' ' ' ILE . 11.2 m170 -65.21 175.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.419 HG12 HD23 ' A' ' 58' ' ' LEU . 82.8 t -138.04 107.56 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 60' ' ' VAL . 13.2 mt -72.47 111.31 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 56' ' ' VAL . 1.4 mt -96.76 -26.31 15.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.13 148.29 31.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.579 HG11 ' HA ' ' A' ' 77' ' ' ILE . 73.9 t -142.92 114.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.16 31.74 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.85 -30.67 7.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -78.43 117.93 20.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.57 139.1 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 34' ' ' PRO . 49.9 mt -90.25 15.72 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.51 135.46 57.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.69 24.65 60.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -111.64 151.52 28.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' GLU . 10.7 mt-10 -90.73 144.02 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.575 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.3 t60 -38.29 -45.27 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -62.29 -38.7 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' GLU . 2.9 tp10 -66.69 -37.67 85.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.478 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -67.59 -47.76 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.02 -33.85 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -77.94 -43.39 30.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.57 -47.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.579 ' HA ' HG11 ' A' ' 60' ' ' VAL . 46.2 mt -61.34 -52.78 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.1 -44.82 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.075 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.8 -31.29 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.79 -25.37 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -85.64 -40.33 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -56.86 -58.27 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 t -40.99 145.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -99.75 -25.18 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.57 -63.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -90.48 144.59 25.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 32.25 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.573 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 24.4 p90 -170.36 167.3 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.419 HG13 ' NZ ' ' A' ' 14' ' ' LYS . 88.3 mt -132.38 114.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.91 110.84 8.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.01 104.23 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 tp -83.49 102.57 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.45 164.62 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 94' ' ' THR . 10.5 t -153.03 108.56 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -64.31 89.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.504 ' CZ ' HG21 ' A' ' 94' ' ' THR . 18.7 m-85 -71.75 97.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -39.68 121.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -97.61 99.0 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.24 -160.93 34.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 147.67 63.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.389 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' SER . 11.9 t -85.93 -64.56 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 101' ' ' SER . 3.7 m -35.88 128.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p 42.97 41.46 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -93.97 116.0 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.72 49.88 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -116.91 172.71 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.8 p -79.86 97.63 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.28 29.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -136.54 105.96 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -62.96 122.19 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG11 ' HG ' ' A' ' 51' ' ' LEU . 47.9 t -117.23 100.98 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 23.0 ttm105 -75.82 118.0 18.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.04 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 6.3 tmtt? -66.55 153.07 43.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.596 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 8.2 mmtp -72.67 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 m -74.15 -54.96 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.98 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.66 -16.34 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -152.37 128.64 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.9 128.94 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.64 85.99 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -137.71 154.75 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -127.75 145.01 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.413 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.3 pt -142.76 177.78 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.416 ' HG2' HG13 ' A' ' 37' ' ' VAL . 12.2 pt-20 -154.95 -178.69 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 81.31 -153.63 33.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.67 ' O ' HG22 ' A' ' 29' ' ' THR . . . 132.73 162.53 10.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.14 -21.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -87.98 27.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.684 HG21 ' HA2' ' A' ' 25' ' ' GLY . 11.1 t -166.72 157.76 12.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' THR . 15.1 ttm180 -36.49 -35.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.496 ' H ' HG23 ' A' ' 29' ' ' THR . 26.4 tp60 -89.0 109.99 34.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.8 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 58' ' ' LEU . 3.9 mm? -93.58 151.81 40.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.552 0.691 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.713 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.78 141.63 45.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.8 ttt180 -117.94 129.38 55.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 55' ' ' HIS . 57.6 mt -64.94 114.25 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.416 HG13 ' HG2' ' A' ' 24' ' ' GLU . 7.0 m -98.62 -32.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 94.5 m -146.14 139.81 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.556 HG22 ' HB2' ' A' ' 46' ' ' HIS . 94.6 mt -125.6 97.74 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -52.93 156.53 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -75.13 -43.96 49.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.22 46.7 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.56 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 p -57.37 -44.66 84.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.67 -66.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.556 ' HB2' HG22 ' A' ' 39' ' ' ILE . 4.3 t-160 -48.11 -56.72 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.8 m-20 -35.19 -47.54 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.0 t -57.76 -49.22 77.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 46' ' ' HIS . . . 85.99 -11.44 62.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -74.24 -15.11 61.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HG ' HG11 ' A' ' 10' ' ' VAL . 10.4 mt -104.57 165.15 11.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.17 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.88 112.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.36 -7.38 5.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.501 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -67.28 172.75 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 HD23 ' A' ' 58' ' ' LEU . 84.7 t -134.3 109.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 65' ' ' LEU . 23.0 mt -73.66 110.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.64 ' HA ' HD12 ' A' ' 33' ' ' LEU . 1.3 mt -97.69 -25.42 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -148.2 148.84 30.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.45 111.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.56 ' OD1' HG23 ' A' ' 89' ' ' ILE . 2.7 m120 60.75 31.16 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.98 -35.08 5.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.459 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -73.34 115.96 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 t -77.91 132.2 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.713 HD13 ' HG3' ' A' ' 34' ' ' PRO . 97.1 mt -83.97 -2.97 57.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 13.9 ptt180 -52.43 122.61 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.03 16.19 77.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -112.41 142.81 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -76.83 150.35 36.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -42.61 -50.0 5.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 5.3 ptt180 -59.75 -37.17 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 6.4 tt0 -64.15 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -69.14 -41.54 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -34.65 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -78.29 -45.95 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.0 mt -54.72 -45.45 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.7 mt -64.11 -50.55 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.87 -46.19 67.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -56.28 -28.77 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.24 -19.83 56.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.596 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 3.7 t80 -93.12 -37.26 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 83' ' ' THR . 7.5 mtmp? -63.72 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 82' ' ' LYS . 5.3 t -35.8 152.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.42 -29.24 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -40.33 -61.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' NH1' ' HB2' ' A' ' 86' ' ' ARG . 16.6 ttm105 -93.26 136.09 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -104.53 40.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.456 ' CA ' ' HE3' ' A' ' 14' ' ' LYS . 54.1 p90 -174.98 172.66 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.56 HG23 ' OD1' ' A' ' 61' ' ' ASN . 11.8 mt -139.91 121.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.519 ' HB3' HD11 ' A' ' 9' ' ' LEU . 75.1 m-20 -83.52 110.85 18.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -103.15 106.7 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 8.8 tp -85.36 109.44 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -117.86 159.86 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.746 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 5.2 t -123.34 -18.25 6.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 97' ' ' ASN . 7.3 tt0 54.08 48.87 20.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.746 ' CZ ' HG21 ' A' ' 94' ' ' THR . 16.9 m-85 -44.88 93.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' GLU . 8.9 m120 34.55 44.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASN . 30.4 t -38.07 134.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.5 159.39 23.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.43 2.07 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.4 p -133.37 158.1 43.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 t -133.48 -44.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -51.59 -44.26 62.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -130.06 128.7 42.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.49 122.15 6.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 t -107.68 136.47 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -80.16 104.12 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.68 168.18 14.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -140.24 116.18 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 90' ' ' ASP . 1.2 tm? -75.88 125.87 29.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.526 HG11 ' HG ' ' A' ' 51' ' ' LEU . 64.7 t -124.46 104.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -75.72 118.89 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.29 111.94 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 81' ' ' PHE . 30.8 mttt -75.1 58.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -69.3 -38.65 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.13 160.0 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.92 91.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -142.93 132.68 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.6 HD22 HD12 ' A' ' 89' ' ' ILE . 26.9 tp -67.07 113.28 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.43 104.77 2.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 77' ' ' ILE . 32.8 pt -150.72 147.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 144.57 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -138.64 177.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.758 ' OE1' HG11 ' A' ' 37' ' ' VAL . 19.2 pt-20 -158.62 152.6 23.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.734 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 119.35 -149.31 18.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.01 149.03 6.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.6 -32.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.6 -53.85 50.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.734 HG21 ' HA2' ' A' ' 25' ' ' GLY . 13.8 t -77.83 166.03 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -46.05 -34.93 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' H ' HG23 ' A' ' 29' ' ' THR . 23.7 tp60 -79.87 116.42 60.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.4 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.76 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.5 mm? -102.24 156.05 35.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.725 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.75 141.06 44.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.358 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -117.96 129.91 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.809 HD12 ' HB2' ' A' ' 55' ' ' HIS . 75.2 mt -63.77 118.69 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.758 HG11 ' OE1' ' A' ' 24' ' ' GLU . 7.3 m -104.07 -31.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m -147.82 133.18 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.71 102.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -47.62 122.48 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.427 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 7.4 mpt_? -54.47 -43.65 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.94 33.75 2.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.4 149.96 17.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 m -44.11 -56.02 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -37.95 -47.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.427 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 15.0 t-160 -69.21 -50.58 46.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -57.08 -63.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.0 p -52.23 -43.51 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.67 -137.51 14.92 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 45.28 26.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.956 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.526 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.7 mt -151.4 163.35 39.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -149.36 162.64 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -75.79 111.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.24 -3.15 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.809 ' HB2' HD12 ' A' ' 36' ' ' ILE . 18.5 m170 -69.12 174.94 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.433 HG12 HD23 ' A' ' 58' ' ' LEU . 85.8 t -134.74 109.05 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HD12 ' A' ' 65' ' ' LEU . 9.8 mt -73.22 110.65 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -97.66 -24.69 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -149.5 149.51 30.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.95 112.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 59.72 31.65 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.1 -33.94 5.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.8 116.25 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 t -75.89 150.08 37.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.734 ' HB2' HD12 ' A' ' 33' ' ' LEU . 84.1 mt -101.67 2.24 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.629 ' HD2' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -57.51 127.54 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.98 19.82 79.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -116.25 146.37 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.28 144.74 30.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -38.16 -46.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -57.35 -49.61 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -55.32 -35.6 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.63 -48.86 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.02 -38.96 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -74.3 -40.59 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.97 -47.0 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 21' ' ' ILE . 23.4 mt -62.29 -53.53 46.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.09 -48.66 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.72 -27.98 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -20.46 59.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.9 t80 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 83' ' ' THR . 77.0 mttt -64.0 -49.02 74.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.7 t -35.83 136.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -96.0 19.88 10.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.49 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 20.3 ttm-85 -89.7 121.81 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.48 30.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 4.7 p90 -167.16 178.35 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.6 HD12 HD22 ' A' ' 19' ' ' LEU . 30.8 mt -135.76 111.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.633 ' HB3' HD21 ' A' ' 9' ' ' LEU . 31.5 m-20 -72.68 103.84 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -97.6 105.26 17.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 5.8 tp -83.83 109.48 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.43 159.66 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 t -121.02 -13.11 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.574 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 4.1 mt-10 53.24 53.06 12.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -47.75 168.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -72.9 143.61 47.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 t -50.9 159.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -135.09 82.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -7.02 20.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -50.63 -57.9 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.0 m -81.98 139.28 34.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -42.4 129.91 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 p -129.44 123.82 32.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.06 -58.58 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -106.37 135.57 47.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -151.15 122.95 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 155.86 142.6 3.46 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -112.98 107.33 15.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -74.71 122.42 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.591 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.3 t -116.42 105.65 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -81.45 113.01 19.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -104.36 117.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -81.94 145.7 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 7.1 mttp -73.99 62.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 p -70.85 -15.56 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.11 -177.95 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.81 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.0 p -148.2 128.92 14.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.15 142.97 55.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 40' ' ' GLN . . . -131.95 100.36 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.461 HD11 HG21 ' A' ' 77' ' ' ILE . 32.8 pt -154.75 151.19 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 141.61 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.79 176.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -153.77 172.16 17.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 102.02 -147.76 17.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.418 ' O ' HG22 ' A' ' 29' ' ' THR . . . 140.83 143.65 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.517 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.99 -30.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -66.72 -67.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.641 HG23 ' H ' ' A' ' 31' ' ' GLN . 12.9 t -54.17 -176.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -61.81 -34.0 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.641 ' H ' HG23 ' A' ' 29' ' ' THR . 30.7 tp60 -82.99 116.43 64.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.5 Cg_endo -69.77 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 66' ' ' ARG . 3.1 mm? -103.25 155.27 36.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.8 140.7 43.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' HG22 ' A' ' 23' ' ' ILE . 78.3 ttt180 -117.67 130.28 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 55' ' ' HIS . 56.4 mt -64.41 114.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -101.61 -30.09 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m -150.21 138.87 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.5 mt -115.58 96.35 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 30.4 mm-40 -51.99 150.85 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -88.34 172.57 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.77 -42.66 2.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.01 172.64 8.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.0 m -64.91 -46.87 79.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.6 -51.34 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -65.24 -59.31 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -38.83 -46.16 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 m -84.88 110.39 18.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.74 54.35 4.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -114.64 -29.58 6.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.591 ' HG ' HG11 ' A' ' 10' ' ' VAL . 7.8 mt -92.45 173.59 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.1 mmtp -151.91 152.77 32.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.92 123.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.89 -11.08 10.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.636 ' HB2' HD12 ' A' ' 36' ' ' ILE . 25.1 m170 -62.99 173.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG12 HD23 ' A' ' 58' ' ' LEU . 84.6 t -136.25 106.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.11 110.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.465 HD23 HG12 ' A' ' 56' ' ' VAL . 1.4 mt -95.41 -33.69 12.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -139.91 139.11 36.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.12 110.46 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.784 ' OD1' HG23 ' A' ' 89' ' ' ILE . 12.2 m120 59.47 32.77 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.37 -30.26 9.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.72 132.22 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.7 127.42 35.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.528 HD13 ' HG3' ' A' ' 34' ' ' PRO . 51.8 mt -93.77 -5.14 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.603 ' HA ' HD11 ' A' ' 33' ' ' LEU . 2.1 ttt180 -37.69 -54.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.33 39.9 2.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -121.86 139.52 53.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' HIS . 28.2 mt-10 -81.71 144.68 30.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 9.8 t60 -36.0 -41.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -51.12 65.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.89 -40.29 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.81 -52.86 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.54 -39.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -72.7 -47.18 49.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.75 -51.17 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.461 HG21 HD11 ' A' ' 21' ' ' ILE . 44.8 mt -57.74 -50.84 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.58 -46.44 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -55.76 -34.81 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 4.5 t80 -91.97 -39.32 11.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -61.96 -61.51 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.2 t -42.46 153.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 85' ' ' ASP . 1.8 mptp? -104.61 -27.93 11.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 84' ' ' LYS . 15.0 m-20 -36.34 -56.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HD2' ' ND2' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -110.14 125.8 53.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 14' ' ' LYS . 1.2 p-10 -88.42 41.92 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -169.66 -179.63 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.784 HG23 ' OD1' ' A' ' 61' ' ' ASN . 56.2 mt -145.59 116.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -68.52 125.13 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -122.45 102.97 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.452 HD11 ' HA3' ' A' ' 7' ' ' GLY . 20.3 tp -87.8 108.32 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.88 158.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 94' ' ' THR . 7.0 t -146.47 109.46 4.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.4 88.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -65.41 138.94 58.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -77.46 82.06 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t -162.96 153.17 16.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 164.33 -157.96 30.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 121.46 8.17 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.3 m -122.45 111.29 16.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.9 p -121.58 171.11 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m -147.67 119.7 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -104.01 134.9 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.11 58.69 0.47 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -111.97 173.22 6.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 p -102.23 158.54 16.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.43 155.0 10.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 93' ' ' VAL . 52.4 m -133.35 107.44 8.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.724 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -71.1 125.9 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.724 ' N ' HD13 ' A' ' 9' ' ' LEU . 60.3 t -124.08 114.59 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -93.22 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.96 113.32 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 87' ' ' ASP . 19.7 tptp -75.69 140.61 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -72.44 66.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -81.77 -46.77 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.3 175.89 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.05 -40.03 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -139.35 146.59 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 tp -69.44 144.8 53.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.87 82.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.485 HD11 HG21 ' A' ' 77' ' ' ILE . 13.5 pt -136.82 136.99 47.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 111.177 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.0 144.98 42.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.462 HG22 ' C ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -140.88 177.76 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 11.9 pt-20 -159.55 146.53 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.643 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 124.77 -148.1 16.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.715 ' O ' HG22 ' A' ' 29' ' ' THR . . . 131.63 153.67 7.55 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.56 -39.42 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.42 -33.85 68.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.9 t -95.99 171.94 8.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -52.69 -33.76 49.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' H ' HG23 ' A' ' 29' ' ' THR . 17.3 tp60 -85.18 113.82 52.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.45 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 58' ' ' LEU . 4.1 mm? -99.25 151.8 37.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.729 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.72 141.1 44.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' C ' HG22 ' A' ' 23' ' ' ILE . 52.2 ttt180 -120.48 129.82 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 55' ' ' HIS . 64.0 mt -64.96 120.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.402 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 12.2 m -104.91 -28.63 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 m -153.17 135.68 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.3 99.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -49.07 163.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -87.92 175.64 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.69 31.29 0.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.69 150.04 18.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -47.5 -28.11 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.83 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.57 -54.45 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -43.12 -62.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.2 t -52.74 -31.17 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.72 64.08 4.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -131.23 -32.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.522 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.3 mm? -95.12 168.98 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -147.62 142.87 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.97 107.57 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.01 13.77 2.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.7 m170 -90.96 166.08 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.815 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 58' ' ' LEU . 89.5 t -131.35 106.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.457 HG22 HD12 ' A' ' 65' ' ' LEU . 20.2 mt -73.02 108.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.567 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -94.48 -25.91 16.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -151.94 148.02 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 57' ' ' ILE . 80.1 t -144.1 123.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 59.0 30.22 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.39 -29.39 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.492 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.3 116.16 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 64' ' ' THR . 13.0 t -77.41 128.65 34.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' HG3' ' A' ' 34' ' ' PRO . 81.3 mt -80.22 13.07 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -58.79 132.31 53.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.13 29.46 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -115.87 147.15 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.718 0.294 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.1 mt-10 -83.97 141.41 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -37.79 -43.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.5 tp10 -60.49 -38.94 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -65.68 -54.18 30.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.085 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.29 -37.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -76.03 -44.51 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.3 mt -57.39 -49.82 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.485 HG21 HD11 ' A' ' 21' ' ' ILE . 21.3 mt -58.47 -53.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.89 -46.13 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -55.63 -32.19 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -67.29 -23.15 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CA ' HD11 ' A' ' 89' ' ' ILE . 2.6 t80 -90.04 -39.03 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -54.46 -54.12 45.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 t -45.45 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -111.95 -28.77 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -45.32 -62.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.558 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -84.84 135.58 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 28.7 m-20 -98.36 36.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 52.4 p90 -175.26 -178.09 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.447 HD11 ' CA ' ' A' ' 81' ' ' PHE . 92.3 mt -141.18 115.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 1.1 t0 -67.63 136.53 54.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.49 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 51.1 m-85 -134.49 102.9 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 58' ' ' LEU . 12.5 tp -86.44 103.32 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' THR . 34.8 m -113.75 163.13 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 94' ' ' THR . 9.9 t -150.2 107.15 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -64.24 80.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -56.36 97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -104.34 124.41 49.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -137.08 112.6 9.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.56 -171.41 44.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -6.08 17.76 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.2 m 45.68 49.51 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.1 m -87.34 96.22 10.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -65.2 146.22 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -153.34 143.06 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.31 90.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -112.26 149.02 32.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -92.23 130.11 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.595 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 160.38 171.83 26.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 10' ' ' VAL . 61.9 m -137.42 106.15 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -60.58 119.89 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.721 HG11 ' HG ' ' A' ' 51' ' ' LEU . 36.5 t -121.76 107.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.566 ' HG3' ' CD2' ' A' ' 88' ' ' TYR . 5.1 ttp-105 -85.34 121.0 27.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.77 HG22 ' HA3' ' A' ' 49' ' ' GLY . 79.0 t -112.05 97.98 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.48 139.18 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 72.6 mttt -64.26 84.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -105.48 -51.33 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.74 169.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.31 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.7 p -138.93 120.81 15.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD12 ' OG ' ' A' ' 44' ' ' SER . 6.7 tp -41.28 115.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.0 91.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.0 pt -150.72 146.29 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 151.78 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -142.56 176.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' HG13 ' A' ' 37' ' ' VAL . 21.1 pt-20 -158.56 158.19 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.594 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 116.86 -142.29 17.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 123.1 145.58 6.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.13 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' GLY . 10.2 t-20 -60.89 -54.5 44.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.665 HG23 ' H ' ' A' ' 31' ' ' GLN . 14.0 t -80.59 -178.6 6.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -59.63 -27.84 66.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.665 ' H ' HG23 ' A' ' 29' ' ' THR . 6.2 tp-100 -86.76 112.95 50.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.68 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.4 mm? -97.67 155.64 36.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.76 134.07 27.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.352 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.426 ' C ' HG22 ' A' ' 23' ' ' ILE . 21.4 ttm180 -114.06 127.09 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 55' ' ' HIS . 68.0 mt -61.43 125.76 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.483 HG13 ' HG2' ' A' ' 24' ' ' GLU . 5.1 m -107.95 -33.13 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.5 m -144.18 133.77 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.503 HG22 ' ND1' ' A' ' 46' ' ' HIS . 73.4 mt -121.14 97.83 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -51.82 134.14 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -60.27 -25.67 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.15 33.51 6.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.17 16.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.685 ' OG ' HD12 ' A' ' 19' ' ' LEU . 35.3 p -52.18 -31.61 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.26 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.503 ' ND1' HG22 ' A' ' 39' ' ' ILE . 1.8 t-160 -72.48 -53.09 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -72.16 -50.92 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.5 m -101.58 165.69 11.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.77 ' HA3' HG22 ' A' ' 12' ' ' VAL . . . 61.55 126.78 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -73.14 98.06 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.721 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.3 mt -140.52 168.23 20.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -150.92 162.53 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.3 109.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.83 -11.85 5.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.416 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.667 ' HB2' HD12 ' A' ' 36' ' ' ILE . 15.0 m170 -62.22 171.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG12 HD23 ' A' ' 58' ' ' LEU . 85.2 t -136.24 112.04 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.8 mt -74.88 116.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.483 HD23 HG12 ' A' ' 56' ' ' VAL . 1.8 mt -103.42 -30.49 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.52 ' HB3' HD23 ' A' ' 92' ' ' LEU . 18.5 tt0 -143.21 138.25 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.8 t -132.18 122.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 51.31 33.17 9.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.82 -29.35 9.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.26 138.27 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.75 126.82 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 33' ' ' LEU . 77.6 mt -88.99 5.83 42.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -60.33 126.79 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.35 78.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -114.15 128.75 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.5 148.19 52.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -42.06 -45.01 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -47.29 85.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -44.99 91.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -64.08 -48.07 77.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.52 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -76.09 -42.9 45.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 73' ' ' ALA . 38.9 mt -56.96 -50.46 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.1 mt -59.96 -53.58 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.21 -44.06 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.76 -31.62 68.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.65 -16.06 62.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -95.08 -41.06 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.02 -58.67 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.435 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.3 t -38.82 141.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -91.7 -33.9 14.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.9 -67.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -63.76 153.89 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.2 13.05 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 39.0 p90 -157.95 179.32 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 mt -141.8 114.36 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -69.8 134.45 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 61.7 m-85 -134.98 100.96 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.595 HD11 ' HA3' ' A' ' 7' ' ' GLY . 12.2 tp -89.8 103.22 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.4 m -106.12 163.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 t -124.83 -18.11 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 96' ' ' PHE . 2.3 tm-20 48.89 50.71 17.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 95' ' ' GLU . 20.0 m-85 -35.27 128.33 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -109.52 163.7 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.7 p -173.27 172.44 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.33 -81.97 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.48 24.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.293 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 t 40.98 41.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.8 p -104.44 128.81 52.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -100.67 147.62 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.871 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -83.58 128.3 34.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.71 90.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -62.89 -56.44 17.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 m -57.06 100.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.89 171.26 22.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -141.65 115.47 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.111 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -74.09 121.0 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.426 HG11 ' HG ' ' A' ' 51' ' ' LEU . 96.6 t -117.29 107.32 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -79.22 115.99 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -108.61 103.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -67.39 136.39 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 66.2 mttt -71.68 86.57 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.3 t -86.02 -47.1 9.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.26 -178.15 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 -23.01 27.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -151.99 143.32 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 21' ' ' ILE . 6.4 tp -78.85 123.67 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.58 97.5 0.76 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 77' ' ' ILE . 30.0 pt -142.5 151.13 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -124.51 143.63 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.556 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -141.15 177.3 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.728 ' OE1' HG11 ' A' ' 37' ' ' VAL . 21.2 pt-20 -158.04 170.55 22.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.54 -140.57 15.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 117.17 158.38 11.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.14 -67.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -38.54 -48.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 30' ' ' ARG . 51.1 p -79.23 148.19 32.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' THR . 18.3 ttm180 -34.76 -41.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -80.2 117.07 65.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.8 mm? -95.03 154.22 39.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.768 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.76 137.91 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt-85 -114.64 130.7 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.769 HD12 ' HB2' ' A' ' 55' ' ' HIS . 67.6 mt -65.36 120.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.728 HG11 ' OE1' ' A' ' 24' ' ' GLU . 10.8 m -107.58 -31.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.534 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 70.2 m -145.55 140.57 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -125.39 101.92 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -59.01 142.52 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 16.2 ttm105 -67.81 -35.16 78.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.11 41.94 3.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.73 143.94 15.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.9 p -52.04 -24.51 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.15 61.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.42 -56.33 23.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -40.05 -40.11 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -66.05 -53.47 38.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.91 -34.45 2.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.516 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -45.19 -24.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' HG ' HG11 ' A' ' 10' ' ' VAL . 11.7 mt -98.03 162.71 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -140.32 168.04 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.0 t -76.9 119.22 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.44 -5.18 8.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.769 ' HB2' HD12 ' A' ' 36' ' ' ILE . 17.8 m170 -66.69 175.84 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.544 HG12 HD23 ' A' ' 58' ' ' LEU . 99.4 t -137.89 108.92 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.409 ' O ' HD12 ' A' ' 65' ' ' LEU . 28.4 mt -74.09 110.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.544 HD23 HG12 ' A' ' 56' ' ' VAL . 1.2 mt -96.88 -26.1 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -146.37 149.94 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 77' ' ' ILE . 92.8 t -141.02 107.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 61.91 31.76 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.0 -35.54 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.1 116.34 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.524 HG23 ' HD2' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -80.49 135.88 36.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.768 HD13 ' HG3' ' A' ' 34' ' ' PRO . 82.4 mt -88.17 17.95 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.524 ' HD2' HG23 ' A' ' 64' ' ' THR . 0.3 OUTLIER -53.55 132.49 40.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.46 42.65 34.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.428 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -121.15 134.15 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.7 0.286 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLU . 18.0 mt-10 -71.21 139.24 50.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.556 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.4 t60 -35.9 -41.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.44 -48.06 82.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' GLU . 3.5 tp10 -58.28 -38.45 77.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.88 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.91 -36.22 11.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -75.73 -42.56 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.53 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 21' ' ' ILE . 29.5 mt -63.15 -50.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.2 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.21 -27.16 61.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.93 -15.03 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -96.43 -40.29 9.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -56.76 -58.69 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 t -42.06 149.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -100.39 -30.8 11.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.61 -59.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.3 ttm180 -91.84 131.92 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -101.57 32.95 3.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 22.8 p90 -169.79 167.94 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.8 mt -131.27 112.69 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.528 ' HB3' HD11 ' A' ' 9' ' ' LEU . 63.5 m-20 -72.35 115.81 12.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -109.73 108.5 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 58' ' ' LEU . 8.9 tp -89.82 106.85 18.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.6 m -115.0 159.35 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.518 HG21 ' CE2' ' A' ' 96' ' ' PHE . 2.2 t -116.41 -21.19 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 4.2 mt-10 61.47 45.68 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 94' ' ' THR . 10.6 m-85 -44.3 162.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.14 107.82 20.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.94 -51.99 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.64 -96.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -3.14 11.37 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.7 m -109.09 170.0 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 p -127.28 128.48 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -159.34 107.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -110.18 -50.55 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.1 163.29 26.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -107.73 128.45 54.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -142.37 131.45 23.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.05 141.07 8.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.0 m -120.82 119.14 31.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.138 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.554 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -86.37 118.81 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.554 ' N ' HD13 ' A' ' 9' ' ' LEU . 39.9 t -115.57 115.76 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -85.84 98.14 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -96.5 108.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.19 152.48 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' CD ' ' CD1' ' A' ' 81' ' ' PHE . 7.5 mtmp? -91.06 83.6 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -97.49 -53.0 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 155.43 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -156.19 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -70.22 136.15 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.48 96.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.595 HD11 HG21 ' A' ' 77' ' ' ILE . 30.0 pt -144.81 147.55 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.31 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -139.69 177.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -161.38 153.66 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -151.89 18.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' THR . . . 130.76 153.46 7.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -36.9 -55.95 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -47.45 -40.34 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' GLY . 71.9 p -89.01 154.36 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' THR . 48.2 ttt-85 -38.22 -40.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -79.96 116.45 61.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.1 Cg_endo -69.77 -48.19 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.0 mm? -101.61 153.07 38.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.744 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' C ' HG22 ' A' ' 23' ' ' ILE . 57.6 ttt180 -115.47 129.56 56.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 55' ' ' HIS . 53.7 mt -65.88 110.16 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.33 -31.77 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.2 m -149.75 139.01 21.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -116.34 106.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -55.26 157.44 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 9.1 tpp180 -74.45 -59.74 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.36 48.86 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 46' ' ' HIS . . . -127.02 138.32 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 p -41.41 -38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.99 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 41' ' ' ARG . 12.0 t-160 -56.44 -61.28 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -38.05 -42.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.8 m -93.09 92.24 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.64 -15.05 38.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -44.95 -30.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' C ' ' HG2' ' A' ' 52' ' ' LYS . 14.8 mt -86.48 171.47 11.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.3 mmtp -147.11 157.58 43.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.06 102.2 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.66 -0.45 3.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.436 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.9 m170 -66.79 175.12 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.5 t -135.09 106.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.582 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.6 mt -72.15 109.77 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.636 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.1 mt -95.97 -26.17 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -147.71 151.25 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.17 116.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 57.36 31.75 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.52 -31.55 7.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.9 117.07 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.24 146.85 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.744 HD13 ' HG3' ' A' ' 34' ' ' PRO . 85.5 mt -97.05 0.31 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' HG3' HD21 ' A' ' 33' ' ' LEU . 1.9 mpt_? -58.88 129.57 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.78 -8.44 62.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -92.09 166.15 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -105.28 153.27 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -43.18 -46.41 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -60.14 -40.64 90.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 4.7 tp10 -67.58 -36.09 80.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -65.1 -48.27 74.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.98 -36.68 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -74.57 -46.89 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' ALA . 55.9 mt -55.16 -48.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.595 HG21 HD11 ' A' ' 21' ' ' ILE . 63.1 mt -60.08 -50.28 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.75 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -56.06 -28.84 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.496 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -72.44 -18.35 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD1' ' CD ' ' A' ' 14' ' ' LYS . 4.9 t80 -90.46 -42.53 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -61.78 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 t -38.62 142.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -103.84 29.19 6.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -76.3 -46.85 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.96 150.12 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.48 28.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -160.17 173.3 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.496 HG12 ' HB1' ' A' ' 80' ' ' ALA . 90.0 mt -133.72 112.7 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -64.73 127.77 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -123.6 103.37 8.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 12.3 tp -83.69 107.55 16.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.68 150.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.636 ' CG2' HD11 ' A' ' 58' ' ' LEU . 5.4 t -134.99 104.69 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -60.81 81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 94' ' ' THR . 18.5 m-85 -61.99 97.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -111.39 94.95 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.1 p -73.12 135.79 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.67 120.78 5.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 107.42 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.278 . . . . 0.0 112.379 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -109.53 84.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.4 p -163.6 108.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.448 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -83.81 -57.53 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -58.14 141.64 49.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.92 129.74 2.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 m -85.13 82.87 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m 54.91 47.78 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . -146.81 141.4 9.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.8 m -107.91 105.55 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -60.33 123.65 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.549 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.4 t -117.82 110.96 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -84.51 112.8 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -106.57 110.65 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -71.6 156.26 39.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HD3' ' CE1' ' A' ' 81' ' ' PHE . 15.6 mmtp -75.73 49.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -62.15 -56.55 17.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.75 158.86 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.0 36.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' LEU . 82.2 p -142.12 108.2 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' THR . 15.1 tp -35.14 137.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.6 79.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -139.0 139.34 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.11 142.85 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -139.18 177.98 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.542 ' HG2' HG13 ' A' ' 37' ' ' VAL . 15.9 pt-20 -158.03 172.06 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.4 -141.01 15.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.84 150.59 7.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.23 -55.96 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 23.8 t-20 -48.37 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 35.6 p -80.91 152.45 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 62.4 ttt180 -36.67 -39.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -81.21 116.48 63.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.87 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.6 mm? -97.4 155.15 37.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.625 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.76 141.47 45.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' CZ ' ' HA2' ' A' ' 54' ' ' GLY . 41.4 ttt-85 -118.54 130.23 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 55' ' ' HIS . 56.9 mt -65.87 115.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.542 HG13 ' HG2' ' A' ' 24' ' ' GLU . 5.1 m -99.33 -34.17 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.4 m -148.18 142.72 26.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 46' ' ' HIS . 80.4 mt -117.57 100.3 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.71 141.9 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 21.2 mtm105 -62.18 -40.01 94.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.16 45.61 3.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.54 144.16 14.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.473 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.5 p -53.19 -16.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.31 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.431 ' HB2' HG22 ' A' ' 39' ' ' ILE . 2.8 t-160 -42.66 -52.91 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -43.43 -45.8 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.4 t -70.59 -46.87 62.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 82.42 -30.13 3.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -44.88 -21.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.549 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.4 mt -103.72 168.34 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -143.56 165.12 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -77.95 121.72 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 35' ' ' ARG . . . 122.48 -3.61 10.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.501 ' HB2' HD12 ' A' ' 36' ' ' ILE . 24.6 m170 -72.28 174.38 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -134.18 108.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.495 ' O ' HD12 ' A' ' 65' ' ' LEU . 20.8 mt -74.66 112.66 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.32 -35.36 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -136.3 143.11 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.546 HG21 HG12 ' A' ' 77' ' ' ILE . 75.5 t -139.66 119.72 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.511 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 0.5 OUTLIER 59.65 31.7 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 90.99 -25.29 14.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.4 140.82 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.82 137.56 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.625 HD13 ' HG3' ' A' ' 34' ' ' PRO . 72.2 mt -95.43 -3.17 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -56.4 125.54 22.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.48 15.34 80.0 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -111.04 145.03 39.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.71 0.291 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 26.3 mt-10 -85.5 144.94 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.8 t60 -34.56 -49.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.52 -46.58 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' GLU . 13.0 tt0 -58.15 -44.3 87.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -63.89 -49.14 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.13 -36.1 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -74.93 -45.44 42.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 73' ' ' ALA . 63.7 mt -54.18 -51.14 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.546 HG12 HG21 ' A' ' 60' ' ' VAL . 33.4 mt -58.28 -54.26 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.96 -44.51 60.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.68 -32.86 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.11 -26.19 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CE1' ' HD3' ' A' ' 14' ' ' LYS . 14.0 t80 -79.35 -47.48 15.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 83' ' ' THR . 39.7 mtmt -60.68 -61.89 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.8 t -33.9 148.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.474 ' CD ' ' O ' ' A' ' 84' ' ' LYS . 5.3 tmtm? -107.13 26.66 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.15 -53.56 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.441 ' CD ' ' O ' ' A' ' 88' ' ' TYR . 6.1 ptp180 -123.78 157.74 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -99.4 30.8 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.441 ' O ' ' CD ' ' A' ' 86' ' ' ARG . 42.5 p90 -166.08 172.66 11.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.441 HG13 ' CE ' ' A' ' 14' ' ' LYS . 71.5 mt -137.2 122.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -74.89 131.49 40.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -126.9 108.12 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.573 HD11 ' HA3' ' A' ' 7' ' ' GLY . 40.9 tp -91.83 110.66 22.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.0 m -116.72 154.05 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t -122.3 -10.02 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' PHE . 7.1 tt0 44.03 53.51 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' GLU . 8.3 m-85 -36.85 -54.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -133.91 159.48 40.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.5 p -132.69 113.77 13.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.66 75.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 161.82 44.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -136.82 127.62 27.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 t -63.37 -49.91 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -102.4 114.67 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 m -92.33 139.02 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.0 92.68 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -109.71 160.54 16.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.848 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 m -46.72 118.54 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 177.36 160.81 24.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.433 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' VAL . 89.8 m -131.96 107.87 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -73.93 119.9 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.765 HG11 HD21 ' A' ' 51' ' ' LEU . 73.6 t -114.11 136.61 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -107.2 100.73 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 51' ' ' LEU . 96.6 t -96.34 100.08 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 1.2 tmmm? -67.07 150.16 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 29.1 mttt -76.14 57.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -77.34 -37.75 51.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.01 127.76 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.6 -24.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.4 p -148.38 168.19 23.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.72 132.77 44.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.47 85.17 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 pt -134.95 144.15 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.42 145.31 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.44 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -143.39 176.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HG2' HG13 ' A' ' 37' ' ' VAL . 13.2 pt-20 -158.72 152.25 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.593 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 123.62 -140.77 13.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.72 148.28 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.13 -19.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -73.92 -55.65 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.593 HG21 ' HA2' ' A' ' 25' ' ' GLY . 11.1 t -70.12 173.28 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -51.23 -34.34 31.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -82.18 116.44 63.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.73 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.1 mm? -103.4 153.81 38.24 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.585 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.72 141.46 45.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.39 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.0 ttt180 -119.06 130.14 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 55' ' ' HIS . 62.4 mt -64.26 120.5 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.423 HG13 ' HG2' ' A' ' 24' ' ' GLU . 10.0 m -103.9 -30.26 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.6 m -146.8 136.41 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.699 HG13 HG22 ' A' ' 53' ' ' VAL . 58.8 mt -120.42 100.95 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.61 135.61 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HA ' ' CG ' ' A' ' 46' ' ' HIS . 44.5 mtt85 -61.86 -38.41 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.75 41.87 2.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.67 146.9 18.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.434 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.3 p -49.85 -31.79 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.47 90.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.05 -59.27 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -38.46 -60.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.13 86.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.63 -22.87 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.461 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -41.88 -40.69 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.765 HD21 HG11 ' A' ' 10' ' ' VAL . 83.6 mt -86.08 162.49 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG3' ' C ' ' A' ' 51' ' ' LEU . 51.5 mttt -151.56 153.64 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.699 HG22 HG13 ' A' ' 39' ' ' ILE . 79.6 t -66.6 109.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.23 2.18 4.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.2 m170 -76.53 172.63 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.489 HG12 HD23 ' A' ' 58' ' ' LEU . 99.5 t -132.69 110.51 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.487 HG21 ' CG2' ' A' ' 60' ' ' VAL . 22.2 mt -74.16 111.0 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.501 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.3 mt -97.93 -25.94 14.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -147.43 145.94 29.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.487 ' CG2' HG21 ' A' ' 57' ' ' ILE . 86.1 t -144.54 117.52 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.89 30.54 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.08 -28.92 9.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.22 120.64 24.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 142.64 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD13 ' HG3' ' A' ' 34' ' ' PRO . 51.3 mt -98.52 14.27 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HA ' HD11 ' A' ' 33' ' ' LEU . 4.0 ptt85 -55.15 -29.1 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.18 35.47 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -123.15 148.75 45.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 72' ' ' GLU . 41.2 mt-10 -91.88 152.36 20.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 69' ' ' GLU . 2.9 t-80 -37.13 -48.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -65.82 -39.88 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 4.1 tp10 -63.59 -40.17 96.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.484 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -66.19 -50.4 64.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.11 -38.07 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -73.96 -44.73 53.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 73' ' ' ALA . 73.5 mt -54.94 -50.54 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.18 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.26 -46.58 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -55.52 -34.78 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -28.13 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -76.29 -48.88 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 83' ' ' THR . 36.8 mtmt -58.7 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' LYS . 7.5 t -34.68 146.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -107.61 23.99 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -75.64 -36.01 60.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -145.5 154.81 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.14 29.46 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.454 ' C ' ' CD1' ' A' ' 88' ' ' TYR . 5.1 p90 -161.03 169.06 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 82.9 mt -131.64 120.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.91 125.97 28.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -125.03 104.07 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.501 HD23 ' HB2' ' A' ' 58' ' ' LEU . 13.5 tp -85.02 104.81 15.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' THR . 27.3 m -116.76 155.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.649 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 8.8 t -140.24 107.76 5.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.96 77.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.649 ' CZ ' HG21 ' A' ' 94' ' ' THR . 17.4 m-85 -60.36 97.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -148.34 147.55 29.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.3 p -148.63 166.25 28.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.4 -154.91 18.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 103.24 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 m -56.23 118.71 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m 42.43 44.91 3.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -147.44 117.32 7.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.891 0.377 . . . . 0.0 110.827 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -159.79 173.9 15.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.55 -177.8 31.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -93.83 108.07 19.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -59.43 -32.94 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 147.74 19.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -115.5 104.25 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -67.35 128.76 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.731 ' N ' HD13 ' A' ' 9' ' ' LEU . 21.7 t -117.59 114.14 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -81.72 100.54 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.8 t -90.99 113.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -74.37 145.64 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -78.08 48.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -67.55 -44.33 78.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.84 131.29 40.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.38 -45.47 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.4 p -134.41 145.95 49.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.72 129.57 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.27 101.49 0.61 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.5 pt -144.53 153.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -130.46 141.96 50.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.422 HG22 ' C ' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -141.19 177.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.2 pt-20 -156.03 176.31 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.696 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 93.35 -146.14 17.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.6 153.68 7.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -62.33 -59.79 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.696 HG21 ' HA2' ' A' ' 25' ' ' GLY . 9.9 t -74.77 162.47 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -42.14 -27.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.449 ' H ' HG23 ' A' ' 29' ' ' THR . 33.2 tp60 -85.17 113.24 49.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.28 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.9 mm? -99.64 155.87 36.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.778 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.3 Cg_endo -69.68 145.9 59.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.741 2.294 . . . . 0.0 112.327 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.7 ttt-85 -121.97 129.4 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.694 HD12 ' HB2' ' A' ' 55' ' ' HIS . 65.6 mt -63.44 115.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 19.2 m -102.01 -32.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 59.8 m -146.41 139.13 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -122.51 100.08 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -47.24 153.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 26.5 ttm180 -75.11 -28.99 60.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.04 46.88 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -124.9 131.99 7.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.489 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 22.4 p -34.96 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -65.47 -51.43 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 15.9 t-80 -49.74 -65.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -38.73 -66.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.3 m -39.37 -53.36 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.19 -34.05 2.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -42.6 -31.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' C ' ' HD3' ' A' ' 52' ' ' LYS . 67.8 mt -85.28 171.02 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HD3' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -155.45 147.96 23.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.794 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.12 119.56 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' HA2' ' NH1' ' A' ' 35' ' ' ARG . . . 124.51 -1.39 8.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.694 ' HB2' HD12 ' A' ' 36' ' ' ILE . 26.6 m170 -76.22 171.92 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 34' ' ' PRO . 91.9 t -133.59 105.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CG2' HG23 ' A' ' 60' ' ' VAL . 44.6 mt -67.99 107.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.48 HD12 ' HG ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -94.24 -25.87 16.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -149.19 144.71 26.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.786 HG11 ' HA ' ' A' ' 77' ' ' ILE . 53.3 t -140.48 113.18 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t30 66.72 30.27 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.24 -27.86 12.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.55 119.03 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 t -78.33 138.71 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.778 HD13 ' HG3' ' A' ' 34' ' ' PRO . 95.2 mt -89.32 18.18 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -60.4 137.94 58.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.61 28.96 31.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -115.85 140.7 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.9 mt-10 -77.65 140.27 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 69' ' ' GLU . 0.9 OUTLIER -35.79 -44.47 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -59.32 -48.91 79.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -57.61 -39.43 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -65.25 -51.14 62.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.43 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -77.45 -40.74 42.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.75 -47.05 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.786 ' HA ' HG11 ' A' ' 60' ' ' VAL . 23.0 mt -61.68 -53.28 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.62 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -55.0 -31.55 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -27.32 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -81.7 -41.15 21.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.39 -49.81 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -48.11 149.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -104.41 27.55 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.77 -51.45 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -135.96 143.12 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 2.8 m-20 -81.26 41.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -173.17 179.39 2.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 89.5 mt -139.12 118.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.608 ' CB ' HD11 ' A' ' 9' ' ' LEU . 38.8 m-20 -77.25 110.04 11.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -102.61 106.32 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.48 ' HG ' HD12 ' A' ' 58' ' ' LEU . 12.0 tp -85.43 103.61 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.03 161.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 94' ' ' THR . 9.1 t -144.57 105.91 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -57.94 79.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 94' ' ' THR . 3.5 m-85 -56.18 -52.28 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -86.03 107.86 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.4 p -173.68 134.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.01 -170.06 42.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -0.97 7.66 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.755 2.304 . . . . 0.0 112.3 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.7 p -133.52 172.03 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -61.24 92.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 10' ' ' VAL . 60.9 m -132.4 104.4 6.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 111.165 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -56.97 124.64 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.675 ' N ' HD13 ' A' ' 9' ' ' LEU . 60.0 t -117.49 119.6 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.6 ttm105 -94.77 117.36 30.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.25 111.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.04 144.67 47.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG3' ' C ' ' A' ' 87' ' ' ASP . 13.3 mttm -75.51 57.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.7 t -67.69 -44.78 76.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 156.64 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.15 -25.19 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.6 p -150.65 131.74 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 tp -72.35 129.34 38.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.14 97.83 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 pt -139.53 144.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.68 141.44 52.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.516 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.6 pt -140.37 177.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.413 ' CD ' HG11 ' A' ' 37' ' ' VAL . 17.7 pt-20 -156.28 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -141.99 15.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 122.69 153.26 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.33 -63.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -41.4 -49.78 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 61.9 p -75.48 149.87 38.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 14.1 ptt85 -36.15 -41.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -79.99 116.52 61.83 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.578 0.704 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.2 mm? -96.88 149.96 36.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.532 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.75 138.98 39.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 58.4 ttt85 -116.22 130.79 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 55' ' ' HIS . 61.7 mt -64.1 116.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.413 HG11 ' CD ' ' A' ' 24' ' ' GLU . 5.7 m -101.45 -32.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -144.76 135.36 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.534 HG13 HG22 ' A' ' 53' ' ' VAL . 73.9 mt -118.29 101.78 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -49.74 148.27 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -67.97 -54.44 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.41 48.9 3.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.88 136.23 9.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 m -38.25 -53.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.02 -61.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -52.78 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.53 ' CD2' HG11 ' A' ' 10' ' ' VAL . 58.2 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.882 0.373 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.445 ' H ' ' CE1' ' A' ' 55' ' ' HIS . 35.0 mtpt -136.39 167.13 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 39' ' ' ILE . 90.8 t -77.6 113.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.49 ' O ' ' CZ ' ' A' ' 35' ' ' ARG . . . 127.8 11.16 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.541 ' HB2' HD12 ' A' ' 36' ' ' ILE . 20.4 m170 -84.41 173.49 10.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 HD23 ' A' ' 58' ' ' LEU . 67.3 t -134.54 109.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.513 HG22 HD12 ' A' ' 65' ' ' LEU . 12.4 mt -74.12 112.64 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD23 HG12 ' A' ' 56' ' ' VAL . 1.7 mt -101.02 -25.56 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -150.74 136.66 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' A' ' 57' ' ' ILE . 56.4 t -130.85 112.42 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.7 29.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -33.39 6.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.79 115.95 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 64' ' ' THR . 0.1 OUTLIER -76.59 139.72 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.622 ' HB2' HD12 ' A' ' 33' ' ' LEU . 86.8 mt -94.57 16.94 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.37 131.05 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 27' ' ' ALA . . . 68.55 8.28 55.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -98.77 146.52 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.1 mt-10 -82.92 141.83 31.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.516 ' CE1' HG13 ' A' ' 23' ' ' ILE . 2.0 t60 -37.1 -45.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -54.36 47.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.51 -35.66 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.628 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -68.62 -51.56 40.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.1 -37.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -73.36 -42.87 61.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 73' ' ' ALA . 31.2 mt -57.68 -49.37 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.69 -51.54 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.33 -44.32 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.58 -33.37 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.53 -22.38 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.413 ' HA ' ' HZ2' ' A' ' 14' ' ' LYS . 5.0 t80 -84.0 -41.99 16.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -56.94 -59.24 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 t -39.71 157.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' ASP . 67.9 mttt -113.07 -28.98 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 84' ' ' LYS . 9.2 m-20 -35.98 -50.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -114.39 140.47 48.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.43 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 5.0 p-10 -100.47 39.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 88' ' ' TYR . 4.2 p90 -167.15 172.71 9.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.404 ' CG1' ' NZ ' ' A' ' 14' ' ' LYS . 6.6 mt -133.9 125.58 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.516 ' CG ' HD21 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -77.29 127.26 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -126.12 103.96 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 58' ' ' LEU . 9.0 tp -87.85 109.82 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -119.48 161.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 -179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.434 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -124.89 107.25 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -65.8 127.7 33.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.581 ' N ' HD13 ' A' ' 9' ' ' LEU . 39.5 t -118.22 105.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -80.03 112.18 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.431 HG12 ' HB2' ' A' ' 44' ' ' SER . 74.0 t -104.11 108.01 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.48 139.06 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 46.9 mttt -76.59 59.84 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -76.49 -40.72 49.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.36 -177.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.09 -40.9 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -142.06 165.55 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -93.71 113.42 25.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.11 104.88 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.4 pt -152.53 150.56 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.58 147.03 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -145.88 176.53 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HG2' HG13 ' A' ' 37' ' ' VAL . 16.1 pt-20 -154.49 177.77 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.99 -147.71 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.74 ' O ' HG22 ' A' ' 29' ' ' THR . . . 135.95 151.59 6.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -18.77 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -86.27 14.72 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.9 t -148.42 174.83 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -48.55 -35.0 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.582 ' H ' HG23 ' A' ' 29' ' ' THR . 34.0 tp60 -89.73 109.89 35.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.596 0.712 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 31' ' ' GLN . 53.5 Cg_endo -69.71 -45.74 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.583 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.0 mm? -102.56 153.05 38.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.09 34.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' HG22 ' A' ' 23' ' ' ILE . 44.9 ttt-85 -115.11 130.09 56.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.459 HD12 ' HB2' ' A' ' 55' ' ' HIS . 58.3 mt -66.44 115.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.464 HG13 ' HG2' ' A' ' 24' ' ' GLU . 13.5 m -100.32 -30.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -148.51 135.08 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.18 103.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.11 128.78 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 22.8 ttt-85 -85.74 79.32 9.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.32 39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.13 -159.52 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.431 ' HB2' HG12 ' A' ' 12' ' ' VAL . 88.8 p -72.37 -36.65 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' HIS . . . -67.3 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.474 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 8.0 t-160 -37.88 -56.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' CD2' HG11 ' A' ' 10' ' ' VAL . 91.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.91 0.386 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -150.27 164.65 35.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.83 115.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.21 -0.1 7.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.459 ' HB2' HD12 ' A' ' 36' ' ' ILE . 16.0 m170 -73.79 173.36 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 HD23 ' A' ' 58' ' ' LEU . 67.6 t -135.66 106.88 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.517 HG21 ' CG2' ' A' ' 60' ' ' VAL . 29.4 mt -73.42 110.2 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.409 HD23 HG12 ' A' ' 56' ' ' VAL . 1.3 mt -93.52 -35.82 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -139.59 142.72 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.517 ' CG2' HG21 ' A' ' 57' ' ' ILE . 98.0 t -136.46 112.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.477 ' OD1' HG23 ' A' ' 89' ' ' ILE . 4.8 m120 61.36 33.33 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.66 -30.57 7.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.684 HD22 HG23 ' A' ' 76' ' ' ILE . 4.9 mp -66.7 131.85 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.583 ' HB2' HD12 ' A' ' 33' ' ' LEU . 78.8 mt -110.54 1.78 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.52 ' HA ' HD11 ' A' ' 33' ' ' LEU . 12.4 ptt180 -48.36 -29.65 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.86 32.4 3.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 57.3 mmtt -116.18 147.02 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' GLU . 30.8 mt-10 -89.72 145.11 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.473 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 9.1 t60 -34.37 -42.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -67.8 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.0 tt0 -59.4 -39.93 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.77 -38.32 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.19 -46.25 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.684 HG23 HD22 ' A' ' 63' ' ' LEU . 79.4 mt -53.44 -50.09 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.35 -49.65 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.59 -44.87 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -56.97 -31.77 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -15.22 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -94.43 -40.1 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -59.16 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 t -40.67 147.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ASP . 3.9 tmtm? -96.66 -38.26 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' LYS . 26.1 t70 -37.86 -59.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -88.65 129.46 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -101.79 36.34 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.477 ' N ' ' HE3' ' A' ' 14' ' ' LYS . 54.6 p90 -173.73 -179.11 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.477 HG23 ' OD1' ' A' ' 61' ' ' ASN . 74.8 mt -144.98 118.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.763 ' HB3' HD11 ' A' ' 9' ' ' LEU . 79.2 m-20 -74.39 128.68 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -122.88 103.3 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.434 HD11 ' HA3' ' A' ' 7' ' ' GLY . 11.8 tp -87.94 102.32 14.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.7 m -111.37 162.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 94' ' ' THR . 10.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.507 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -132.38 101.86 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.626 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -61.16 125.47 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.626 ' N ' HD13 ' A' ' 9' ' ' LEU . 24.1 t -117.47 116.68 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -85.27 103.38 14.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.6 t -90.44 111.94 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.49 141.26 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 60.5 mttt -76.61 49.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -67.04 -46.71 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.85 153.15 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.09 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -125.18 143.12 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.23 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.41 87.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.582 HD11 HG21 ' A' ' 77' ' ' ILE . 27.6 pt -149.25 144.32 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.13 140.18 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.73 176.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' CD ' HG11 ' A' ' 37' ' ' VAL . 26.5 pt-20 -156.09 153.61 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.673 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 114.93 -147.45 18.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 138.28 147.83 5.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.86 -24.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLY . 16.7 t-20 -69.11 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.673 HG21 ' HA2' ' A' ' 25' ' ' GLY . 3.6 t -60.88 178.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' OG1' ' A' ' 29' ' ' THR . 20.8 ttm-85 -57.65 -29.19 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -85.66 116.38 65.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.72 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 66' ' ' ARG . 2.8 mm? -101.06 154.84 36.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.41 47.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.458 ' C ' HG22 ' A' ' 23' ' ' ILE . 43.4 ttt180 -120.14 130.15 54.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 55' ' ' HIS . 64.3 mt -64.91 122.59 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.419 HG11 ' CD ' ' A' ' 24' ' ' GLU . 7.8 m -106.57 -30.71 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -145.86 139.78 26.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.765 HG13 HG22 ' A' ' 53' ' ' VAL . 70.0 mt -121.75 100.51 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -43.77 137.63 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 31.2 ttt180 -66.68 -56.31 11.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.99 51.27 2.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.21 172.2 22.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -70.74 -50.91 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.3 -50.14 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.6 t-160 -61.15 -57.8 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.485 ' HG ' HG11 ' A' ' 10' ' ' VAL . 23.3 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -150.17 155.49 39.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.765 HG22 HG13 ' A' ' 39' ' ' ILE . 54.4 t -66.98 107.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.55 -7.04 3.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.465 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -67.7 174.13 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.482 HG12 HD23 ' A' ' 58' ' ' LEU . 94.9 t -135.27 108.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 65' ' ' LEU . 20.0 mt -72.47 116.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 56' ' ' VAL . 2.0 mt -103.1 -27.62 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -147.26 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.41 111.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 59.32 35.22 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.38 -30.96 7.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.0 131.55 45.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.05 145.07 26.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 91.7 mt -112.08 6.29 19.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.617 ' HA ' HD11 ' A' ' 33' ' ' LEU . 11.9 ptt180 -50.45 -35.6 29.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.09 38.97 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.543 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -121.53 148.01 45.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' GLU . 27.4 mt-10 -93.75 146.51 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.564 ' CE1' HG13 ' A' ' 23' ' ' ILE . 8.3 t60 -35.96 -42.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.425 ' C ' ' CD ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -66.82 -47.02 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.7 tt0 -61.7 -41.59 97.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.39 -47.63 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.03 -38.03 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -73.87 -45.67 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.9 mt -54.44 -49.16 67.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 21' ' ' ILE . 20.8 mt -59.54 -49.96 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.09 -45.2 75.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.93 -32.33 65.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -29.55 66.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.79 -41.53 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.22 -57.76 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -38.67 149.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -105.74 25.59 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.21 -66.58 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.2 ptp180 -113.04 144.91 41.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -87.03 38.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 14.0 p90 -170.33 -179.53 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.4 mt -142.13 121.42 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.91 118.5 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.402 ' CZ ' HG23 ' A' ' 77' ' ' ILE . 55.9 m-85 -116.36 106.34 13.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.507 HD11 ' HA3' ' A' ' 7' ' ' GLY . 9.8 tp -86.67 104.04 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.57 162.45 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 94' ' ' THR . 5.5 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -116.29 115.43 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.159 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.512 HD13 ' N ' ' A' ' 10' ' ' VAL . 1.2 tm? -64.56 119.51 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.512 ' N ' HD13 ' A' ' 9' ' ' LEU . 49.0 t -108.36 138.65 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -108.05 109.01 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.97 108.35 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.0 145.04 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.2 mttt -76.43 54.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -59.94 -41.86 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.13 177.65 8.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.32 20.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.8 p -140.45 153.29 46.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 tp -84.86 140.59 31.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.546 ' C ' ' NE2' ' A' ' 40' ' ' GLN . . . -138.14 88.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.576 ' N ' HE22 ' A' ' 40' ' ' GLN . 6.2 pt -139.79 149.34 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.87 142.69 51.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.513 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -140.4 176.44 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.408 ' CD ' HG11 ' A' ' 37' ' ' VAL . 18.6 pt-20 -158.43 151.52 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.97 -144.4 16.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.14 153.74 8.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.5 -58.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -46.85 -48.37 21.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ARG . 44.7 p -76.18 150.78 37.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' THR . 7.2 tpt180 -35.88 -44.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -77.38 116.47 58.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.74 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.5 mm? -101.03 155.24 36.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.706 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.74 138.56 38.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' C ' HG22 ' A' ' 23' ' ' ILE . 22.9 ttp180 -117.33 126.36 52.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 55' ' ' HIS . 48.5 mt -64.67 115.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.408 HG11 ' CD ' ' A' ' 24' ' ' GLU . 11.2 m -101.65 -30.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.2 m -148.37 138.1 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.5 mt -121.38 96.88 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.576 HE22 ' N ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -53.11 139.54 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.98 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 44.1 mtp180 -78.13 167.69 21.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.0 -37.27 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.2 -171.93 2.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.4 p -77.69 -39.48 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . . . -51.15 -59.45 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.8 t-160 -56.02 -45.94 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.9 mt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -151.49 158.65 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.65 116.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.96 4.18 8.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.532 ' HB2' HD12 ' A' ' 36' ' ' ILE . 10.7 m170 -76.32 176.83 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.431 HG12 HD23 ' A' ' 58' ' ' LEU . 66.1 t -136.25 106.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.43 HG21 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -73.95 110.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.2 mt -97.32 -26.07 15.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -147.19 144.41 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.569 HG11 ' HA ' ' A' ' 77' ' ' ILE . 46.0 t -139.9 116.95 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 60.43 31.54 20.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.8 -31.28 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.16 117.12 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.49 132.82 39.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.706 HD13 ' HG3' ' A' ' 34' ' ' PRO . 56.7 mt -84.4 14.34 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -60.93 134.1 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.08 23.95 62.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -112.21 141.46 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.1 mt-10 -78.64 141.2 38.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.513 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.7 t60 -34.44 -46.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.04 -55.51 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.86 -38.51 35.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.542 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -68.51 -49.33 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.33 -33.82 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -78.03 -43.6 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 73' ' ' ALA . 47.0 mt -57.76 -47.03 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.569 ' HA ' HG11 ' A' ' 60' ' ' VAL . 32.6 mt -60.33 -52.57 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.96 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.65 -29.32 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -72.43 -20.77 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 5.9 t80 -86.99 -40.93 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' THR . 35.7 mttm -61.66 -63.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' LYS . 12.8 t -36.62 149.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -107.13 29.77 6.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -77.43 -49.75 14.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -135.77 144.96 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.26 39.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 86' ' ' ARG . 25.3 p90 -169.29 174.37 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.426 HG12 ' HB1' ' A' ' 80' ' ' ALA . 94.9 mt -135.36 119.22 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.85 114.38 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -111.48 104.16 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 58' ' ' LEU . 10.2 tp -83.99 112.17 19.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.92 163.87 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.932 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.448 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.245 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.1 m -129.32 110.02 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -73.99 121.33 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.653 ' N ' HD13 ' A' ' 9' ' ' LEU . 59.2 t -115.55 122.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -96.72 102.12 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -97.09 115.7 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -76.24 132.99 40.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.588 ' HD2' ' CD1' ' A' ' 81' ' ' PHE . 4.8 mtmp? -75.83 51.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -77.72 -29.97 51.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 155.69 39.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.78 75.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -149.81 151.49 33.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 20' ' ' GLY . 2.1 tt -82.34 144.03 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.765 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -147.68 87.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.648 HD11 HG21 ' A' ' 77' ' ' ILE . 24.6 pt -135.21 132.4 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.7 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.476 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.4 pt -144.38 175.9 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -151.65 -179.95 7.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 79.99 -157.38 41.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 29' ' ' THR . . . 142.53 153.82 6.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.76 -24.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' GLY . 27.6 t-20 -90.26 40.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 26' ' ' GLY . 10.6 t -174.92 162.6 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 2.7 tmt_? -37.45 -35.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -93.12 112.14 54.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.9 mm? -99.3 154.8 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.719 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.77 139.81 41.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' C ' HG22 ' A' ' 23' ' ' ILE . 46.3 ttp85 -117.91 127.04 53.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.89 112.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.57 -29.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 m -147.1 141.63 26.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.5 mt -122.77 97.8 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -51.04 129.21 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -60.39 144.39 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . 91.12 -51.55 3.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' GLY . . . -35.06 147.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 p -45.59 -27.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ASN . 3.2 t-160 -60.85 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' HIS . 41.5 t-20 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.857 0.36 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -147.51 141.24 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.02 113.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.54 0.37 6.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.02 176.35 8.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.441 HG12 HD23 ' A' ' 58' ' ' LEU . 97.1 t -137.65 109.53 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.552 HG21 ' CG2' ' A' ' 60' ' ' VAL . 28.9 mt -74.15 109.16 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.441 HD23 HG12 ' A' ' 56' ' ' VAL . 1.1 mt -95.2 -25.98 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -150.42 144.09 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.552 ' CG2' HG21 ' A' ' 57' ' ' ILE . 88.6 t -141.36 124.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 57.33 31.01 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.8 -29.25 8.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -78.49 117.85 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -79.76 143.16 34.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.719 HD13 ' HG3' ' A' ' 34' ' ' PRO . 80.7 mt -99.68 10.21 41.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.563 ' HA ' HD11 ' A' ' 33' ' ' LEU . 3.4 ppt_? -43.93 -37.21 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' HD2' ' A' ' 66' ' ' ARG . . . -124.97 43.24 1.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -125.48 142.28 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 23.6 mt-10 -84.24 144.9 28.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 7.2 t60 -34.56 -41.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 71' ' ' ARG . 3.1 tmt_? -67.85 -50.13 58.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 69' ' ' GLU . 7.1 tp10 -57.59 -37.51 73.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -67.02 -54.47 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.76 -35.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.69 -45.81 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' ALA . 61.3 mt -54.28 -49.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.648 HG21 HD11 ' A' ' 21' ' ' ILE . 22.1 mt -60.53 -49.35 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.19 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -58.16 -30.9 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.84 -23.8 62.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.588 ' CD1' ' HD2' ' A' ' 14' ' ' LYS . 2.9 t80 -81.0 -40.41 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -59.02 -60.77 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -38.74 145.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -100.59 -30.79 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -39.45 -59.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.418 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 38.7 ttm-85 -89.5 140.17 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.66 25.98 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 33.6 p90 -168.09 172.43 8.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.404 HD11 ' HD1' ' A' ' 81' ' ' PHE . 87.6 mt -129.78 116.03 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.78 130.33 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -128.32 102.75 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.448 HD11 ' HA3' ' A' ' 7' ' ' GLY . 12.1 tp -84.25 104.84 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -114.31 157.44 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 94' ' ' THR . 10.0 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.564 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 m -111.45 107.3 16.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -61.01 121.72 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.62 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.8 t -113.25 106.18 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.405 HH11 ' CB ' ' A' ' 11' ' ' ARG . 5.8 ttp-105 -83.1 107.03 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.83 99.4 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -69.02 142.18 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.3 mttt -68.98 83.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -93.63 -46.62 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -175.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.21 -40.36 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -153.25 131.78 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.9 140.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.54 99.54 0.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 pt -146.14 148.39 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.09 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.68 149.75 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.427 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -144.16 175.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.466 ' HG2' HG13 ' A' ' 37' ' ' VAL . 18.4 pt-20 -155.84 146.6 22.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 -154.76 20.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.07 142.37 3.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -64.09 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 p -56.26 174.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -51.56 -48.91 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -76.5 116.53 57.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.701 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.9 mm? -99.64 154.55 37.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.81 134.21 27.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.427 ' C ' HG22 ' A' ' 23' ' ' ILE . 21.5 ttm180 -114.39 127.36 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 55' ' ' HIS . 57.8 mt -60.07 124.51 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.466 HG13 ' HG2' ' A' ' 24' ' ' GLU . 10.1 m -109.56 -30.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -150.12 134.71 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.554 HG13 HG22 ' A' ' 53' ' ' VAL . 64.5 mt -112.96 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -46.21 137.67 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.461 HH21 ' CD2' ' A' ' 46' ' ' HIS . 2.2 tpm_? -65.3 -46.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.93 65.71 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.63 159.76 28.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -56.34 -49.11 75.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.32 -38.05 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.461 ' CD2' HH21 ' A' ' 41' ' ' ARG . 10.4 t-160 -76.77 -48.63 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.62 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.2 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.906 0.384 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -148.61 156.46 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.554 HG22 HG13 ' A' ' 39' ' ' ILE . 95.6 t -66.08 118.72 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.16 -4.93 7.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.621 ' HB2' HD12 ' A' ' 36' ' ' ILE . 26.5 m170 -73.1 170.72 14.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.475 HG12 HD23 ' A' ' 58' ' ' LEU . 87.7 t -136.09 112.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.441 HG21 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -75.57 113.38 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 56' ' ' VAL . 1.8 mt -98.0 -30.15 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.75 140.6 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG2' HG21 ' A' ' 57' ' ' ILE . 85.3 t -131.39 116.8 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.64 32.69 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.25 -32.47 6.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.38 128.95 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -85.54 143.07 28.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.668 ' HB2' HD12 ' A' ' 33' ' ' LEU . 87.6 mt -109.33 5.36 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.477 ' HA ' HD11 ' A' ' 33' ' ' LEU . 10.8 ptt180 -50.02 -38.74 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.82 42.15 1.85 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -124.9 146.97 49.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.9 mt-10 -90.49 143.9 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 69' ' ' GLU . 12.8 t60 -34.69 -41.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -49.25 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -59.06 -39.86 83.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.38 63.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.91 -39.83 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -71.97 -46.04 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.7 mt -53.92 -50.42 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.2 -50.61 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.49 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -56.68 -31.59 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.53 -28.13 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -79.61 -44.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' THR . 62.8 mttt -58.87 -60.52 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' LYS . 9.8 t -36.97 145.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -102.02 -18.13 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -52.86 -54.93 27.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 25.0 ttm180 -104.35 118.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.08 41.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.535 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 43.0 p90 -174.93 175.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.1 mt -137.44 121.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.456 ' CB ' HD11 ' A' ' 9' ' ' LEU . 25.6 m-20 -81.15 121.55 26.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -116.86 105.71 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.564 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.2 tp -87.84 110.73 20.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.45 159.99 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.6 m -134.77 124.47 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -77.71 119.81 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.558 ' N ' HD13 ' A' ' 9' ' ' LEU . 92.3 t -110.76 110.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -83.5 106.35 15.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.65 111.83 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 145.13 43.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 30.5 mttm -78.2 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -59.2 -45.97 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.68 174.74 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.69 -23.81 29.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 t -154.19 130.89 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.89 109.66 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.93 111.1 3.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 77' ' ' ILE . 42.9 pt -149.51 155.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.88 150.89 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.43 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -145.7 175.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' OE1' HG11 ' A' ' 37' ' ' VAL . 19.4 pt-20 -156.55 137.83 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.538 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 135.54 -158.02 23.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 145.52 145.4 4.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.01 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLY . 5.4 t-20 -72.54 -63.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.538 HG21 ' HA2' ' A' ' 25' ' ' GLY . 14.8 t -62.65 172.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -50.54 -34.02 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.531 ' H ' HG23 ' A' ' 29' ' ' THR . 27.5 tp60 -85.06 116.32 64.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.8 Cg_endo -69.75 -47.31 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.8 mm? -103.68 155.03 37.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.73 140.08 41.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' HG22 ' A' ' 23' ' ' ILE . 35.5 ttp180 -117.49 127.87 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.611 HD12 ' HB2' ' A' ' 55' ' ' HIS . 53.1 mt -63.71 112.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.493 HG11 ' OE1' ' A' ' 24' ' ' GLU . 10.6 m -98.72 -30.47 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 100.0 m -147.97 136.33 21.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 53' ' ' VAL . 65.3 mt -120.09 104.35 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -52.47 130.87 32.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 9.1 mpt_? -64.29 -40.52 96.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.97 55.78 4.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.43 -175.33 20.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -36.1 38.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.4 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 12.0 t-80 -77.67 -48.66 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.489 ' HG ' HG11 ' A' ' 10' ' ' VAL . 36.3 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.852 0.358 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -148.52 164.35 34.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 39' ' ' ILE . 78.5 t -77.08 108.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.94 4.75 3.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.611 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -78.01 177.07 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.508 HG12 HD23 ' A' ' 58' ' ' LEU . 97.5 t -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.3 mt -74.51 113.22 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.508 HD23 HG12 ' A' ' 56' ' ' VAL . 1.7 mt -100.07 -25.87 14.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -147.27 144.52 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.8 t -138.25 109.58 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.4 30.91 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -34.87 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.52 116.44 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.497 HG21 ' HD3' ' A' ' 66' ' ' ARG . 8.0 t -81.76 140.1 34.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD13 ' HG3' ' A' ' 34' ' ' PRO . 61.3 mt -95.62 14.59 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.569 ' HA ' HD11 ' A' ' 33' ' ' LEU . 14.6 ptt85 -51.84 -39.89 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.25 34.34 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -119.76 147.83 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' HIS . 29.6 mt-10 -90.09 145.99 24.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' GLU . 7.1 t60 -34.94 -44.72 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -50.68 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' GLU . 4.3 tp10 -56.8 -35.36 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.96 -50.97 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.38 -35.32 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -75.93 -46.09 31.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.9 -48.72 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.422 HG21 HD11 ' A' ' 21' ' ' ILE . 26.0 mt -59.57 -52.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.58 68.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.59 -30.13 68.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.28 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.504 ' HD1' HD11 ' A' ' 89' ' ' ILE . 4.0 t80 -94.61 -38.08 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' THR . 20.4 mttp -63.13 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' LYS . 10.0 t -36.56 143.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -91.89 -30.3 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -43.34 -63.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.2 ttm105 -90.19 129.47 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.45 24.48 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.487 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 10.5 p90 -162.11 173.72 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.504 HD11 ' HD1' ' A' ' 81' ' ' PHE . 43.6 mt -131.41 122.52 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.425 ' CG ' HD11 ' A' ' 9' ' ' LEU . 58.4 m-20 -81.77 118.88 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -114.4 107.9 16.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 6.2 tp -89.63 107.73 19.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.04 161.19 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -127.33 114.84 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -78.84 121.62 25.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.677 ' N ' HD13 ' A' ' 9' ' ' LEU . 38.4 t -119.69 106.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG3' ' CD1' ' A' ' 88' ' ' TYR . 29.6 ttm180 -85.36 102.11 13.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -94.05 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.49 145.91 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 40.1 mttm -75.4 62.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -48.47 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.86 168.21 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.75 -29.32 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.66 153.61 28.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.5 tp -73.89 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.96 99.14 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.3 pt -150.66 147.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.07 49.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.437 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.1 pt -143.83 176.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.5 pt-20 -159.65 144.6 15.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.97 -146.02 17.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.28 152.45 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.97 -47.05 16.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.325 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -56.53 -45.8 80.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ARG . 71.1 p -76.72 155.42 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' THR . 11.9 ttm180 -36.16 -51.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.24 116.43 46.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 66' ' ' ARG . 2.8 mm? -100.65 150.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.453 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.6 Cg_endo -69.75 136.48 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.437 ' C ' HG22 ' A' ' 23' ' ' ILE . 32.7 ttt180 -114.17 130.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.48 117.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.406 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 16.1 m -101.61 -33.78 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.9 m -142.34 135.88 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.4 mt -119.5 101.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.07 145.57 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.42 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -70.0 -50.0 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.33 47.9 3.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.75 148.35 16.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.1 p -52.44 -25.72 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.59 -58.25 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.42 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 13.4 t-160 -48.17 -63.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' HIS . 71.8 m-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.629 ' HG ' HG11 ' A' ' 10' ' ' VAL . 9.3 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.921 0.391 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -148.76 161.08 42.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.9 t -73.89 108.63 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.45 -4.07 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -71.12 170.22 13.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.547 HG12 HD23 ' A' ' 58' ' ' LEU . 79.7 t -131.63 110.1 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.513 HG22 HD12 ' A' ' 65' ' ' LEU . 28.3 mt -72.96 109.9 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.584 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.1 mt -96.79 -28.09 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.516 ' HB3' HD23 ' A' ' 92' ' ' LEU . 21.7 tt0 -144.01 140.08 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.463 ' CG2' HG21 ' A' ' 57' ' ' ILE . 73.0 t -132.96 124.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.43 ' ND2' ' HB1' ' A' ' 80' ' ' ALA . 2.6 m120 49.44 31.78 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.04 -32.29 7.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 63' ' ' LEU . 2.7 mm? -64.95 152.43 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.89 146.91 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.529 ' HB2' HD12 ' A' ' 33' ' ' LEU . 79.4 mt -115.7 4.79 14.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.576 ' HA ' HD11 ' A' ' 33' ' ' LEU . 12.6 ptt180 -51.91 -38.66 57.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.72 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -121.65 143.93 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.4 mt-10 -86.24 145.35 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 69' ' ' GLU . 8.1 t60 -34.28 -43.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -65.0 -47.16 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.6 tp10 -57.9 -43.97 86.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -60.62 -49.72 76.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.37 -37.55 5.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.075 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -73.68 -46.14 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 73' ' ' ALA . 61.0 mt -53.84 -49.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.37 -54.91 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.33 -47.8 46.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.49 -29.61 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.43 ' HB1' ' ND2' ' A' ' 61' ' ' ASN . . . -72.25 -24.45 61.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.9 -46.53 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -52.4 -53.97 38.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -42.5 142.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -100.97 -14.03 18.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.38 -56.37 22.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.6 ttm180 -92.7 158.67 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -118.96 23.8 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.524 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 5.7 p90 -162.62 166.62 24.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.458 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 35.8 mt -125.86 116.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 1.1 t0 -67.83 127.35 32.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 89' ' ' ILE . 65.8 m-85 -128.38 102.48 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 59' ' ' GLU . 9.8 tp -88.21 112.57 22.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.33 163.53 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.584 ' CG2' HD11 ' A' ' 58' ' ' LEU . 6.1 t . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.545 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -107.52 104.26 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.83 115.56 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.671 HG11 ' HG ' ' A' ' 51' ' ' LEU . 55.7 t -110.21 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -79.19 104.6 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.451 HG12 ' OG ' ' A' ' 44' ' ' SER . 89.1 t -98.94 104.74 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -76.26 140.06 41.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 70.5 mttt -67.27 86.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -97.03 -50.57 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.67 168.76 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -37.59 74.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.464 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . 9.5 t -161.7 140.62 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.65 HD22 HD12 ' A' ' 89' ' ' ILE . 34.2 tp -54.23 153.27 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.69 89.0 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.768 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -135.66 136.28 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.112 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -107.16 150.78 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.566 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -145.63 177.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -152.16 -177.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.616 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 81.09 -143.19 23.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.46 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 121.42 152.63 8.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -34.29 -48.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -42.8 -56.77 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.616 HG21 ' HA2' ' A' ' 25' ' ' GLY . 14.7 t -82.71 170.44 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt-85 -47.21 -34.84 6.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.524 ' H ' HG23 ' A' ' 29' ' ' THR . 36.3 tp60 -78.7 112.87 30.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.6 mm? -95.88 152.34 38.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' HG13 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.74 143.27 50.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.446 ' C ' HG22 ' A' ' 23' ' ' ILE . 61.0 ttt-85 -118.67 129.62 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' A' ' 55' ' ' HIS . 59.1 mt -62.77 125.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -113.26 -31.93 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.553 HG22 HE21 ' A' ' 40' ' ' GLN . 51.5 m -144.83 137.06 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.519 HG13 HG22 ' A' ' 53' ' ' VAL . 47.4 mt -118.24 97.92 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.678 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -57.54 120.95 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -53.92 -36.01 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.32 48.62 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 160.37 28.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.451 ' OG ' HG12 ' A' ' 12' ' ' VAL . 4.4 p -65.57 -14.23 60.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.85 -46.76 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.518 ' HB2' HG22 ' A' ' 39' ' ' ILE . 6.4 t-160 -85.69 28.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.671 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.6 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.889 0.376 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 34.8 mmtt -143.69 168.53 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.519 HG22 HG13 ' A' ' 39' ' ' ILE . 83.3 t -82.65 110.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.94 -12.1 4.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.634 ' HB2' HD12 ' A' ' 36' ' ' ILE . 24.2 m170 -59.79 175.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 HD23 ' A' ' 58' ' ' LEU . 93.5 t -135.57 109.17 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' HD12 ' A' ' 65' ' ' LEU . 21.0 mt -72.02 110.67 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.492 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.3 mt -96.17 -28.41 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -145.81 147.33 31.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 77' ' ' ILE . 94.2 t -134.49 109.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 59.93 33.13 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.47 -33.54 6.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.508 HD22 HG23 ' A' ' 76' ' ' ILE . 6.0 mp -65.36 135.99 55.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.58 130.71 35.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.55 ' HB2' HD12 ' A' ' 33' ' ' LEU . 73.6 mt -93.19 8.47 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.05 129.0 38.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.97 19.1 71.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HD2' ' CG ' ' A' ' 72' ' ' GLU . 36.1 mmtt -106.45 135.73 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.289 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.26 148.49 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.0 t60 -42.62 -45.0 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -36.6 84.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' CG ' ' HD2' ' A' ' 68' ' ' LYS . 3.7 tp10 -62.44 -44.61 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.28 87.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.72 -33.39 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -80.41 -38.54 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.508 HG23 HD22 ' A' ' 63' ' ' LEU . 71.1 mt -64.43 -45.51 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.578 ' HA ' HG11 ' A' ' 60' ' ' VAL . 19.9 mt -61.46 -49.47 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.53 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.3 -30.0 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.86 -24.3 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.464 ' CE2' ' HA ' ' A' ' 18' ' ' THR . 7.9 t80 -86.79 -41.58 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -55.49 -57.15 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 t -40.6 143.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -93.76 -37.78 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.98 -64.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.5 ttt180 -82.06 126.47 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.04 25.82 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -163.67 166.05 22.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.65 HD12 HD22 ' A' ' 19' ' ' LEU . 66.3 mt -125.82 109.25 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.74 108.88 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -105.28 103.17 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.545 HD11 ' HA3' ' A' ' 7' ' ' GLY . 9.9 tp -87.4 107.48 18.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 55' ' ' HIS . 25.2 m -114.6 159.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 94' ' ' THR . 7.3 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.8 m -110.9 104.46 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.473 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -66.38 116.61 7.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.645 HG11 ' HG ' ' A' ' 51' ' ' LEU . 55.7 t -110.11 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 22.9 ttm105 -80.92 112.97 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -105.25 105.0 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -70.99 130.9 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 43.2 mttm -60.86 75.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LYS . 9.6 t -93.74 -42.54 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.78 172.59 5.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.88 -41.29 23.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.1 p -145.75 127.24 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.6 tp -54.46 137.11 43.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.87 87.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.2 pt -141.36 144.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.62 145.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.575 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.1 pt -140.51 176.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HG2' HG13 ' A' ' 37' ' ' VAL . 17.1 pt-20 -153.34 -176.2 5.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.701 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 87.35 -146.81 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.11 155.2 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.08 -29.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -62.31 -57.12 12.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.701 HG21 ' HA2' ' A' ' 25' ' ' GLY . 10.6 t -77.47 162.49 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.421 ' NH1' ' OE1' ' A' ' 31' ' ' GLN . 1.1 tmt_? -44.26 -22.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.526 ' H ' HG23 ' A' ' 29' ' ' THR . 28.6 tp60 -88.89 110.95 41.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.7 mm? -97.44 154.59 37.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.7 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.76 145.28 56.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.442 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt180 -121.94 131.5 54.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.865 HD12 ' HB2' ' A' ' 55' ' ' HIS . 73.2 mt -64.97 117.5 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 24' ' ' GLU . 14.9 m -103.22 -34.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 84.6 m -142.52 135.4 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.433 HG22 ' HB2' ' A' ' 46' ' ' HIS . 88.7 mt -120.88 100.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.52 135.3 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -63.11 -46.4 87.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.46 56.74 5.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.49 155.91 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.3 p -55.85 -35.45 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HB2' HG22 ' A' ' 39' ' ' ILE . 2.5 t-160 -54.29 -47.61 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.645 ' HG ' HG11 ' A' ' 10' ' ' VAL . 8.7 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.926 0.393 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -149.61 167.95 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.2 120.49 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.57 -6.99 10.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.865 ' HB2' HD12 ' A' ' 36' ' ' ILE . 11.2 m170 -65.21 175.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.419 HG12 HD23 ' A' ' 58' ' ' LEU . 82.8 t -138.04 107.56 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 60' ' ' VAL . 13.2 mt -72.47 111.31 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 56' ' ' VAL . 1.4 mt -96.76 -26.31 15.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.13 148.29 31.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.579 HG11 ' HA ' ' A' ' 77' ' ' ILE . 73.9 t -142.92 114.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.16 31.74 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.85 -30.67 7.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -78.43 117.93 20.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.57 139.1 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 34' ' ' PRO . 49.9 mt -90.25 15.72 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.51 135.46 57.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.69 24.65 60.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -111.64 151.52 28.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' GLU . 10.7 mt-10 -90.73 144.02 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.575 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.3 t60 -38.29 -45.27 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -62.29 -38.7 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' GLU . 2.9 tp10 -66.69 -37.67 85.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.478 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -67.59 -47.76 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.02 -33.85 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -77.94 -43.39 30.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.57 -47.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.579 ' HA ' HG11 ' A' ' 60' ' ' VAL . 46.2 mt -61.34 -52.78 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.1 -44.82 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.075 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.8 -31.29 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.79 -25.37 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -85.64 -40.33 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -56.86 -58.27 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 t -40.99 145.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -99.75 -25.18 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.57 -63.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -90.48 144.59 25.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 32.25 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.573 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 24.4 p90 -170.36 167.3 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.419 HG13 ' NZ ' ' A' ' 14' ' ' LYS . 88.3 mt -132.38 114.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.91 110.84 8.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.01 104.23 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 tp -83.49 102.57 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.45 164.62 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 94' ' ' THR . 10.5 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -136.54 105.96 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -62.96 122.19 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.407 HG11 ' HG ' ' A' ' 51' ' ' LEU . 47.9 t -117.23 100.98 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 23.0 ttm105 -75.82 118.0 18.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.04 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 6.3 tmtt? -66.55 153.07 43.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.596 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 8.2 mmtp -72.67 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 m -74.15 -54.96 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.98 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.66 -16.34 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -152.37 128.64 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.9 128.94 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.64 85.99 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -137.71 154.75 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -127.75 145.01 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.519 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -142.76 177.78 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.416 ' HG2' HG13 ' A' ' 37' ' ' VAL . 12.2 pt-20 -154.95 -178.69 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 81.31 -153.63 33.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.67 ' O ' HG22 ' A' ' 29' ' ' THR . . . 132.73 162.53 10.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.14 -21.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -87.98 27.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.684 HG21 ' HA2' ' A' ' 25' ' ' GLY . 11.1 t -166.72 157.76 12.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' THR . 15.1 ttm180 -36.49 -35.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.496 ' H ' HG23 ' A' ' 29' ' ' THR . 26.4 tp60 -89.0 109.99 34.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.8 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 58' ' ' LEU . 3.9 mm? -93.58 151.81 40.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.552 0.691 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.713 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.78 141.63 45.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.8 ttt180 -117.94 129.38 55.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 55' ' ' HIS . 57.6 mt -64.94 114.25 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.416 HG13 ' HG2' ' A' ' 24' ' ' GLU . 7.0 m -98.62 -32.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 94.5 m -146.14 139.81 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.556 HG22 ' HB2' ' A' ' 46' ' ' HIS . 94.6 mt -125.6 97.74 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -52.93 156.53 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -75.13 -43.96 49.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.22 46.7 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.56 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 p -57.37 -44.66 84.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.67 -66.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.556 ' HB2' HG22 ' A' ' 39' ' ' ILE . 4.3 t-160 -48.11 -56.72 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HG ' HG11 ' A' ' 10' ' ' VAL . 10.4 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.951 0.405 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.17 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.88 112.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.36 -7.38 5.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.501 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -67.28 172.75 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 HD23 ' A' ' 58' ' ' LEU . 84.7 t -134.3 109.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 65' ' ' LEU . 23.0 mt -73.66 110.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.64 ' HA ' HD12 ' A' ' 33' ' ' LEU . 1.3 mt -97.69 -25.42 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -148.2 148.84 30.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.45 111.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.56 ' OD1' HG23 ' A' ' 89' ' ' ILE . 2.7 m120 60.75 31.16 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.98 -35.08 5.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.459 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -73.34 115.96 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 t -77.91 132.2 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.713 HD13 ' HG3' ' A' ' 34' ' ' PRO . 97.1 mt -83.97 -2.97 57.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 13.9 ptt180 -52.43 122.61 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.03 16.19 77.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -112.41 142.81 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -76.83 150.35 36.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.519 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.8 t60 -42.61 -50.0 5.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 5.3 ptt180 -59.75 -37.17 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 6.4 tt0 -64.15 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -69.14 -41.54 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -34.65 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -78.29 -45.95 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.0 mt -54.72 -45.45 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.7 mt -64.11 -50.55 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.87 -46.19 67.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -56.28 -28.77 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.24 -19.83 56.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.596 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 3.7 t80 -93.12 -37.26 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 83' ' ' THR . 7.5 mtmp? -63.72 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 82' ' ' LYS . 5.3 t -35.8 152.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.42 -29.24 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -40.33 -61.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 86' ' ' ARG . 16.6 ttm105 -93.26 136.09 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -104.53 40.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.456 ' CA ' ' HE3' ' A' ' 14' ' ' LYS . 54.1 p90 -174.98 172.66 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.56 HG23 ' OD1' ' A' ' 61' ' ' ASN . 11.8 mt -139.91 121.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.519 ' HB3' HD11 ' A' ' 9' ' ' LEU . 75.1 m-20 -83.52 110.85 18.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -103.15 106.7 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 8.8 tp -85.36 109.44 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -117.86 159.86 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -140.24 116.18 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 90' ' ' ASP . 1.2 tm? -75.88 125.87 29.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.526 HG11 ' HG ' ' A' ' 51' ' ' LEU . 64.7 t -124.46 104.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -75.72 118.89 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.29 111.94 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 81' ' ' PHE . 30.8 mttt -75.1 58.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -69.3 -38.65 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.13 160.0 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.92 91.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -142.93 132.68 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.6 HD22 HD12 ' A' ' 89' ' ' ILE . 26.9 tp -67.07 113.28 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.43 104.77 2.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 77' ' ' ILE . 32.8 pt -150.72 147.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 144.57 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.64 177.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.758 ' OE1' HG11 ' A' ' 37' ' ' VAL . 19.2 pt-20 -158.62 152.6 23.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.734 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 119.35 -149.31 18.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.01 149.03 6.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.6 -32.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.6 -53.85 50.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.734 HG21 ' HA2' ' A' ' 25' ' ' GLY . 13.8 t -77.83 166.03 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -46.05 -34.93 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.471 ' H ' HG23 ' A' ' 29' ' ' THR . 23.7 tp60 -79.87 116.42 60.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.4 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.76 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.5 mm? -102.24 156.05 35.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.725 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.75 141.06 44.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.358 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -117.96 129.91 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.809 HD12 ' HB2' ' A' ' 55' ' ' HIS . 75.2 mt -63.77 118.69 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.758 HG11 ' OE1' ' A' ' 24' ' ' GLU . 7.3 m -104.07 -31.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m -147.82 133.18 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.71 102.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -47.62 122.48 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.427 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 7.4 mpt_? -54.47 -43.65 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.94 33.75 2.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.4 149.96 17.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 m -44.11 -56.02 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -37.95 -47.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.427 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 15.0 t-160 -69.21 -50.58 46.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.526 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.7 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.861 0.362 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -149.36 162.64 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -75.79 111.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.24 -3.15 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.809 ' HB2' HD12 ' A' ' 36' ' ' ILE . 18.5 m170 -69.12 174.94 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.433 HG12 HD23 ' A' ' 58' ' ' LEU . 85.8 t -134.74 109.05 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HD12 ' A' ' 65' ' ' LEU . 9.8 mt -73.22 110.65 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -97.66 -24.69 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -149.5 149.51 30.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.95 112.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 59.72 31.65 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.1 -33.94 5.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.8 116.25 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 t -75.89 150.08 37.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.734 ' HB2' HD12 ' A' ' 33' ' ' LEU . 84.1 mt -101.67 2.24 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.629 ' HD2' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -57.51 127.54 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.98 19.82 79.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -116.25 146.37 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.28 144.74 30.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 1.7 t60 -38.16 -46.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -57.35 -49.61 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -55.32 -35.6 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.63 -48.86 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.02 -38.96 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -74.3 -40.59 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.97 -47.0 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 21' ' ' ILE . 23.4 mt -62.29 -53.53 46.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.09 -48.66 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.72 -27.98 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -20.46 59.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.9 t80 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 83' ' ' THR . 77.0 mttt -64.0 -49.02 74.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.7 t -35.83 136.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -96.0 19.88 10.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.49 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 20.3 ttm-85 -89.7 121.81 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.48 30.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 4.7 p90 -167.16 178.35 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.6 HD12 HD22 ' A' ' 19' ' ' LEU . 30.8 mt -135.76 111.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.633 ' HB3' HD21 ' A' ' 9' ' ' LEU . 31.5 m-20 -72.68 103.84 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -97.6 105.26 17.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 5.8 tp -83.83 109.48 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.43 159.66 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -112.98 107.33 15.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -74.71 122.42 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.591 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.3 t -116.42 105.65 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -81.45 113.01 19.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -104.36 117.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -81.94 145.7 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 7.1 mttp -73.99 62.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 p -70.85 -15.56 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.11 -177.95 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.81 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.0 p -148.2 128.92 14.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.15 142.97 55.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 40' ' ' GLN . . . -131.95 100.36 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.461 HD11 HG21 ' A' ' 77' ' ' ILE . 32.8 pt -154.75 151.19 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 141.61 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.79 176.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -153.77 172.16 17.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 102.02 -147.76 17.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.418 ' O ' HG22 ' A' ' 29' ' ' THR . . . 140.83 143.65 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.517 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.99 -30.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -66.72 -67.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.641 HG23 ' H ' ' A' ' 31' ' ' GLN . 12.9 t -54.17 -176.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -61.81 -34.0 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.641 ' H ' HG23 ' A' ' 29' ' ' THR . 30.7 tp60 -82.99 116.43 64.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.5 Cg_endo -69.77 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 66' ' ' ARG . 3.1 mm? -103.25 155.27 36.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.8 140.7 43.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' HG22 ' A' ' 23' ' ' ILE . 78.3 ttt180 -117.67 130.28 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 55' ' ' HIS . 56.4 mt -64.41 114.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -101.61 -30.09 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m -150.21 138.87 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.5 mt -115.58 96.35 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 30.4 mm-40 -51.99 150.85 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -88.34 172.57 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.77 -42.66 2.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.01 172.64 8.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.0 m -64.91 -46.87 79.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.6 -51.34 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -65.24 -59.31 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.591 ' HG ' HG11 ' A' ' 10' ' ' VAL . 7.8 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.1 mmtp -151.91 152.77 32.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.92 123.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.89 -11.08 10.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.636 ' HB2' HD12 ' A' ' 36' ' ' ILE . 25.1 m170 -62.99 173.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.465 HG12 HD23 ' A' ' 58' ' ' LEU . 84.6 t -136.25 106.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.11 110.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.465 HD23 HG12 ' A' ' 56' ' ' VAL . 1.4 mt -95.41 -33.69 12.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -139.91 139.11 36.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.12 110.46 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.784 ' OD1' HG23 ' A' ' 89' ' ' ILE . 12.2 m120 59.47 32.77 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.37 -30.26 9.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.72 132.22 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.7 127.42 35.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.528 HD13 ' HG3' ' A' ' 34' ' ' PRO . 51.8 mt -93.77 -5.14 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.603 ' HA ' HD11 ' A' ' 33' ' ' LEU . 2.1 ttt180 -37.69 -54.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.33 39.9 2.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -121.86 139.52 53.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' HIS . 28.2 mt-10 -81.71 144.68 30.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 9.8 t60 -36.0 -41.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -51.12 65.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.89 -40.29 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.81 -52.86 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.54 -39.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -72.7 -47.18 49.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.75 -51.17 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.461 HG21 HD11 ' A' ' 21' ' ' ILE . 44.8 mt -57.74 -50.84 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.58 -46.44 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -55.76 -34.81 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.512 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 4.5 t80 -91.97 -39.32 11.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -61.96 -61.51 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.2 t -42.46 153.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 85' ' ' ASP . 1.8 mptp? -104.61 -27.93 11.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 84' ' ' LYS . 15.0 m-20 -36.34 -56.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HD2' ' ND2' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -110.14 125.8 53.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 14' ' ' LYS . 1.2 p-10 -88.42 41.92 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -169.66 -179.63 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.784 HG23 ' OD1' ' A' ' 61' ' ' ASN . 56.2 mt -145.59 116.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -68.52 125.13 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -122.45 102.97 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.452 HD11 ' HA3' ' A' ' 7' ' ' GLY . 20.3 tp -87.8 108.32 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.88 158.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 94' ' ' THR . 7.0 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 93' ' ' VAL . 52.4 m -133.35 107.44 8.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.724 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -71.1 125.9 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.724 ' N ' HD13 ' A' ' 9' ' ' LEU . 60.3 t -124.08 114.59 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -93.22 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.96 113.32 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 87' ' ' ASP . 19.7 tptp -75.69 140.61 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -72.44 66.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -81.77 -46.77 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.3 175.89 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.05 -40.03 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -139.35 146.59 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 tp -69.44 144.8 53.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.87 82.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.485 HD11 HG21 ' A' ' 77' ' ' ILE . 13.5 pt -136.82 136.99 47.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 111.177 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.0 144.98 42.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.531 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -140.88 177.76 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 11.9 pt-20 -159.55 146.53 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.643 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 124.77 -148.1 16.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.715 ' O ' HG22 ' A' ' 29' ' ' THR . . . 131.63 153.67 7.55 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.56 -39.42 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.42 -33.85 68.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.9 t -95.99 171.94 8.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -52.69 -33.76 49.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.477 ' H ' HG23 ' A' ' 29' ' ' THR . 17.3 tp60 -85.18 113.82 52.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.45 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 58' ' ' LEU . 4.1 mm? -99.25 151.8 37.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.729 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.72 141.1 44.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.462 ' C ' HG22 ' A' ' 23' ' ' ILE . 52.2 ttt180 -120.48 129.82 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 55' ' ' HIS . 64.0 mt -64.96 120.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.402 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 12.2 m -104.91 -28.63 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 m -153.17 135.68 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.3 99.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -49.07 163.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -87.92 175.64 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.69 31.29 0.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.69 150.04 18.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -47.5 -28.11 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.83 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.57 -54.45 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.522 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.864 0.364 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -147.62 142.87 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.97 107.57 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.01 13.77 2.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.7 m170 -90.96 166.08 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.815 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 58' ' ' LEU . 89.5 t -131.35 106.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.457 HG22 HD12 ' A' ' 65' ' ' LEU . 20.2 mt -73.02 108.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.567 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -94.48 -25.91 16.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -151.94 148.02 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 57' ' ' ILE . 80.1 t -144.1 123.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 59.0 30.22 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.39 -29.39 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.492 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.3 116.16 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 64' ' ' THR . 13.0 t -77.41 128.65 34.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' HG3' ' A' ' 34' ' ' PRO . 81.3 mt -80.22 13.07 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -58.79 132.31 53.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.13 29.46 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -115.87 147.15 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.718 0.294 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.1 mt-10 -83.97 141.41 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.531 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -37.79 -43.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.5 tp10 -60.49 -38.94 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -65.68 -54.18 30.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.085 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.29 -37.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -76.03 -44.51 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.3 mt -57.39 -49.82 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.485 HG21 HD11 ' A' ' 21' ' ' ILE . 21.3 mt -58.47 -53.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.89 -46.13 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -55.63 -32.19 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -67.29 -23.15 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CA ' HD11 ' A' ' 89' ' ' ILE . 2.6 t80 -90.04 -39.03 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -54.46 -54.12 45.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 t -45.45 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -111.95 -28.77 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -45.32 -62.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.558 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -84.84 135.58 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 28.7 m-20 -98.36 36.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 52.4 p90 -175.26 -178.09 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.447 HD11 ' CA ' ' A' ' 81' ' ' PHE . 92.3 mt -141.18 115.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 1.1 t0 -67.63 136.53 54.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.49 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 51.1 m-85 -134.49 102.9 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 58' ' ' LEU . 12.5 tp -86.44 103.32 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' THR . 34.8 m -113.75 163.13 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 94' ' ' THR . 9.9 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.595 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 10' ' ' VAL . 61.9 m -137.42 106.15 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -60.58 119.89 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.721 HG11 ' HG ' ' A' ' 51' ' ' LEU . 36.5 t -121.76 107.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.566 ' HG3' ' CD2' ' A' ' 88' ' ' TYR . 5.1 ttp-105 -85.34 121.0 27.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.0 t -112.05 97.98 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.48 139.18 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 72.6 mttt -64.26 84.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -105.48 -51.33 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.74 169.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.31 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.7 p -138.93 120.81 15.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.685 HD12 ' OG ' ' A' ' 44' ' ' SER . 6.7 tp -41.28 115.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.0 91.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.0 pt -150.72 146.29 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 151.78 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.525 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -142.56 176.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' HG13 ' A' ' 37' ' ' VAL . 21.1 pt-20 -158.56 158.19 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.594 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 116.86 -142.29 17.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 123.1 145.58 6.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.13 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' GLY . 10.2 t-20 -60.89 -54.5 44.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.665 HG23 ' H ' ' A' ' 31' ' ' GLN . 14.0 t -80.59 -178.6 6.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -59.63 -27.84 66.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.665 ' H ' HG23 ' A' ' 29' ' ' THR . 33.4 tp60 -86.76 112.95 50.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.68 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.4 mm? -97.67 155.64 36.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.76 134.07 27.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.352 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.443 HH21 ' NE2' ' A' ' 31' ' ' GLN . 21.4 ttm180 -114.06 127.09 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 55' ' ' HIS . 68.0 mt -61.43 125.76 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.483 HG13 ' HG2' ' A' ' 24' ' ' GLU . 5.1 m -107.95 -33.13 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.5 m -144.18 133.77 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.503 HG22 ' ND1' ' A' ' 46' ' ' HIS . 73.4 mt -121.14 97.83 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -51.82 134.14 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -60.27 -25.67 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.15 33.51 6.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.17 16.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.685 ' OG ' HD12 ' A' ' 19' ' ' LEU . 35.3 p -52.18 -31.61 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.26 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.503 ' ND1' HG22 ' A' ' 39' ' ' ILE . 1.8 t-160 -72.48 -53.09 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.721 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.888 0.375 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -150.92 162.53 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.3 109.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.83 -11.85 5.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.416 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.667 ' HB2' HD12 ' A' ' 36' ' ' ILE . 15.0 m170 -62.22 171.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.483 HG12 HD23 ' A' ' 58' ' ' LEU . 85.2 t -136.24 112.04 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.8 mt -74.88 116.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.483 HD23 HG12 ' A' ' 56' ' ' VAL . 1.8 mt -103.42 -30.49 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.52 ' HB3' HD23 ' A' ' 92' ' ' LEU . 18.5 tt0 -143.21 138.25 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.8 t -132.18 122.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 51.31 33.17 9.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.82 -29.35 9.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.26 138.27 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.75 126.82 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 33' ' ' LEU . 77.6 mt -88.99 5.83 42.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -60.33 126.79 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.35 78.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -114.15 128.75 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.5 148.19 52.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.3 t60 -42.06 -45.01 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -47.29 85.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -44.99 91.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -64.08 -48.07 77.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.52 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -76.09 -42.9 45.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 73' ' ' ALA . 38.9 mt -56.96 -50.46 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.1 mt -59.96 -53.58 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.21 -44.06 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.76 -31.62 68.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.65 -16.06 62.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -95.08 -41.06 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.02 -58.67 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.435 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.3 t -38.82 141.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -91.7 -33.9 14.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.9 -67.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -63.76 153.89 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.2 13.05 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 39.0 p90 -157.95 179.32 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 mt -141.8 114.36 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -69.8 134.45 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 61.7 m-85 -134.98 100.96 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.595 HD11 ' HA3' ' A' ' 7' ' ' GLY . 12.2 tp -89.8 103.22 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.4 m -106.12 163.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -141.65 115.47 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.111 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -74.09 121.0 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.426 HG11 ' HG ' ' A' ' 51' ' ' LEU . 96.6 t -117.29 107.32 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -79.22 115.99 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -108.61 103.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -67.39 136.39 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 66.2 mttt -71.68 86.57 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.3 t -86.02 -47.1 9.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.26 -178.15 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 -23.01 27.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -151.99 143.32 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 21' ' ' ILE . 6.4 tp -78.85 123.67 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.58 97.5 0.76 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 77' ' ' ILE . 30.0 pt -142.5 151.13 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.534 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -124.51 143.63 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.556 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -141.15 177.3 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.728 ' OE1' HG11 ' A' ' 37' ' ' VAL . 21.2 pt-20 -158.04 170.55 22.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.54 -140.57 15.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 117.17 158.38 11.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.14 -67.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -38.54 -48.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 30' ' ' ARG . 51.1 p -79.23 148.19 32.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' THR . 18.3 ttm180 -34.76 -41.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -80.2 117.07 65.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.8 mm? -95.03 154.22 39.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.768 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.76 137.91 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt-85 -114.64 130.7 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.769 HD12 ' HB2' ' A' ' 55' ' ' HIS . 67.6 mt -65.36 120.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.728 HG11 ' OE1' ' A' ' 24' ' ' GLU . 10.8 m -107.58 -31.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.534 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 70.2 m -145.55 140.57 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -125.39 101.92 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -59.01 142.52 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 16.2 ttm105 -67.81 -35.16 78.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.11 41.94 3.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.73 143.94 15.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.9 p -52.04 -24.51 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.15 61.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.42 -56.33 23.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.426 ' HG ' HG11 ' A' ' 10' ' ' VAL . 11.7 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -140.32 168.04 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.0 t -76.9 119.22 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.44 -5.18 8.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.769 ' HB2' HD12 ' A' ' 36' ' ' ILE . 17.8 m170 -66.69 175.84 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.544 HG12 HD23 ' A' ' 58' ' ' LEU . 99.4 t -137.89 108.92 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.409 ' O ' HD12 ' A' ' 65' ' ' LEU . 28.4 mt -74.09 110.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.544 HD23 HG12 ' A' ' 56' ' ' VAL . 1.2 mt -96.88 -26.1 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -146.37 149.94 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 77' ' ' ILE . 92.8 t -141.02 107.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 61.91 31.76 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.0 -35.54 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.1 116.34 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.524 HG23 ' HD2' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -80.49 135.88 36.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.768 HD13 ' HG3' ' A' ' 34' ' ' PRO . 82.4 mt -88.17 17.95 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.524 ' HD2' HG23 ' A' ' 64' ' ' THR . 0.3 OUTLIER -53.55 132.49 40.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.46 42.65 34.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.428 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -121.15 134.15 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.7 0.286 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLU . 18.0 mt-10 -71.21 139.24 50.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.556 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.4 t60 -35.9 -41.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.44 -48.06 82.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' GLU . 3.5 tp10 -58.28 -38.45 77.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.88 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.91 -36.22 11.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -75.73 -42.56 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.53 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 21' ' ' ILE . 29.5 mt -63.15 -50.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.2 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.21 -27.16 61.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.93 -15.03 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -96.43 -40.29 9.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -56.76 -58.69 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 t -42.06 149.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -100.39 -30.8 11.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.61 -59.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.3 ttm180 -91.84 131.92 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -101.57 32.95 3.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 22.8 p90 -169.79 167.94 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.8 mt -131.27 112.69 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.528 ' HB3' HD11 ' A' ' 9' ' ' LEU . 63.5 m-20 -72.35 115.81 12.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -109.73 108.5 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 58' ' ' LEU . 8.9 tp -89.82 106.85 18.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.6 m -115.0 159.35 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.0 m -120.82 119.14 31.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.138 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.554 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -86.37 118.81 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.554 ' N ' HD13 ' A' ' 9' ' ' LEU . 39.9 t -115.57 115.76 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -85.84 98.14 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -96.5 108.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.19 152.48 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.57 ' CD ' ' CD1' ' A' ' 81' ' ' PHE . 7.5 mtmp? -91.06 83.6 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -97.49 -53.0 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 155.43 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -156.19 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -70.22 136.15 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.48 96.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.595 HD11 HG21 ' A' ' 77' ' ' ILE . 30.0 pt -144.81 147.55 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.31 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -139.69 177.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -161.38 153.66 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -151.89 18.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' THR . . . 130.76 153.46 7.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -36.9 -55.95 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -47.45 -40.34 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' GLY . 71.9 p -89.01 154.36 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' THR . 48.2 ttt-85 -38.22 -40.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -79.96 116.45 61.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.1 Cg_endo -69.77 -48.19 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.0 mm? -101.61 153.07 38.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.744 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' C ' HG22 ' A' ' 23' ' ' ILE . 57.6 ttt180 -115.47 129.56 56.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 55' ' ' HIS . 53.7 mt -65.88 110.16 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.33 -31.77 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.2 m -149.75 139.01 21.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -116.34 106.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -55.26 157.44 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 9.1 tpp180 -74.45 -59.74 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.36 48.86 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 46' ' ' HIS . . . -127.02 138.32 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 p -41.41 -38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.99 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 41' ' ' ARG . 12.0 t-160 -56.44 -61.28 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.929 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.407 ' C ' ' HG2' ' A' ' 52' ' ' LYS . 14.8 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.874 0.369 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.3 mmtp -147.11 157.58 43.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.06 102.2 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.66 -0.45 3.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.436 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.9 m170 -66.79 175.12 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.5 t -135.09 106.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.582 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.6 mt -72.15 109.77 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.636 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.1 mt -95.97 -26.17 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -147.71 151.25 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.17 116.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 57.36 31.75 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.52 -31.55 7.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.9 117.07 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.24 146.85 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.744 HD13 ' HG3' ' A' ' 34' ' ' PRO . 85.5 mt -97.05 0.31 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.402 ' HG3' HD21 ' A' ' 33' ' ' LEU . 1.9 mpt_? -58.88 129.57 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.78 -8.44 62.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -92.09 166.15 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -105.28 153.27 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 6.8 t60 -43.18 -46.41 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -60.14 -40.64 90.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 4.7 tp10 -67.58 -36.09 80.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -65.1 -48.27 74.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.98 -36.68 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -74.57 -46.89 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' ALA . 55.9 mt -55.16 -48.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.595 HG21 HD11 ' A' ' 21' ' ' ILE . 63.1 mt -60.08 -50.28 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.75 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -56.06 -28.84 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.496 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -72.44 -18.35 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD1' ' CD ' ' A' ' 14' ' ' LYS . 4.9 t80 -90.46 -42.53 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -61.78 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 t -38.62 142.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -103.84 29.19 6.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -76.3 -46.85 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.96 150.12 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.48 28.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -160.17 173.3 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.496 HG12 ' HB1' ' A' ' 80' ' ' ALA . 90.0 mt -133.72 112.7 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -64.73 127.77 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -123.6 103.37 8.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 12.3 tp -83.69 107.55 16.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.68 150.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.636 ' CG2' HD11 ' A' ' 58' ' ' LEU . 5.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.8 m -107.91 105.55 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -60.33 123.65 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.549 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.4 t -117.82 110.96 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -84.51 112.8 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -106.57 110.65 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -71.6 156.26 39.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HD3' ' CE1' ' A' ' 81' ' ' PHE . 15.6 mmtp -75.73 49.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -62.15 -56.55 17.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.75 158.86 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.0 36.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' LEU . 82.2 p -142.12 108.2 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' THR . 15.1 tp -35.14 137.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.6 79.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -139.0 139.34 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.11 142.85 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -139.18 177.98 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.542 ' HG2' HG13 ' A' ' 37' ' ' VAL . 15.9 pt-20 -158.03 172.06 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.4 -141.01 15.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.84 150.59 7.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.23 -55.96 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 23.8 t-20 -48.37 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 35.6 p -80.91 152.45 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 62.4 ttt180 -36.67 -39.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -81.21 116.48 63.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.87 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.6 mm? -97.4 155.15 37.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.625 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.76 141.47 45.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' CZ ' ' HA2' ' A' ' 54' ' ' GLY . 41.4 ttt-85 -118.54 130.23 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 55' ' ' HIS . 56.9 mt -65.87 115.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.542 HG13 ' HG2' ' A' ' 24' ' ' GLU . 5.1 m -99.33 -34.17 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.4 m -148.18 142.72 26.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 46' ' ' HIS . 80.4 mt -117.57 100.3 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.71 141.9 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 21.2 mtm105 -62.18 -40.01 94.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.16 45.61 3.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.54 144.16 14.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.473 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.5 p -53.19 -16.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.31 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.431 ' HB2' HG22 ' A' ' 39' ' ' ILE . 2.8 t-160 -42.66 -52.91 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.549 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.832 0.349 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -143.56 165.12 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -77.95 121.72 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 35' ' ' ARG . . . 122.48 -3.61 10.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.501 ' HB2' HD12 ' A' ' 36' ' ' ILE . 24.6 m170 -72.28 174.38 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -134.18 108.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.495 ' O ' HD12 ' A' ' 65' ' ' LEU . 20.8 mt -74.66 112.66 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.32 -35.36 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -136.3 143.11 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.546 HG21 HG12 ' A' ' 77' ' ' ILE . 75.5 t -139.66 119.72 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.511 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 7.0 t-20 59.65 31.7 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 90.99 -25.29 14.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.4 140.82 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.82 137.56 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.625 HD13 ' HG3' ' A' ' 34' ' ' PRO . 72.2 mt -95.43 -3.17 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -56.4 125.54 22.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.48 15.34 80.0 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -111.04 145.03 39.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.71 0.291 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 26.3 mt-10 -85.5 144.94 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.8 t60 -34.56 -49.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.52 -46.58 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' GLU . 13.0 tt0 -58.15 -44.3 87.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -63.89 -49.14 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.13 -36.1 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -74.93 -45.44 42.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 73' ' ' ALA . 63.7 mt -54.18 -51.14 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.546 HG12 HG21 ' A' ' 60' ' ' VAL . 33.4 mt -58.28 -54.26 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.96 -44.51 60.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.68 -32.86 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.485 ' HB1' HD22 ' A' ' 61' ' ' ASN . . . -71.11 -26.19 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CE1' ' HD3' ' A' ' 14' ' ' LYS . 14.0 t80 -79.35 -47.48 15.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 83' ' ' THR . 39.7 mtmt -60.68 -61.89 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.8 t -33.9 148.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.474 ' CD ' ' O ' ' A' ' 84' ' ' LYS . 5.3 tmtm? -107.13 26.66 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.15 -53.56 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HD2' ' ND2' ' A' ' 61' ' ' ASN . 6.1 ptp180 -123.78 157.74 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.441 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -99.4 30.8 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.441 ' O ' ' CD ' ' A' ' 86' ' ' ARG . 42.5 p90 -166.08 172.66 11.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.441 HG13 ' CE ' ' A' ' 14' ' ' LYS . 71.5 mt -137.2 122.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -74.89 131.49 40.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -126.9 108.12 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.573 HD11 ' HA3' ' A' ' 7' ' ' GLY . 40.9 tp -91.83 110.66 22.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.0 m -116.72 154.05 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' VAL . 89.8 m -131.96 107.87 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -73.93 119.9 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.765 HG11 HD21 ' A' ' 51' ' ' LEU . 73.6 t -114.11 136.61 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -107.2 100.73 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 51' ' ' LEU . 96.6 t -96.34 100.08 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 1.2 tmmm? -67.07 150.16 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 29.1 mttt -76.14 57.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -77.34 -37.75 51.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.01 127.76 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.6 -24.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.4 p -148.38 168.19 23.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.72 132.77 44.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.47 85.17 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 pt -134.95 144.15 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.42 145.31 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -143.39 176.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HG2' HG13 ' A' ' 37' ' ' VAL . 13.2 pt-20 -158.72 152.25 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.593 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 123.62 -140.77 13.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.72 148.28 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.13 -19.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -73.92 -55.65 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.593 HG21 ' HA2' ' A' ' 25' ' ' GLY . 11.1 t -70.12 173.28 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -51.23 -34.34 31.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -82.18 116.44 63.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.73 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.1 mm? -103.4 153.81 38.24 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.585 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.72 141.46 45.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.39 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.0 ttt180 -119.06 130.14 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 55' ' ' HIS . 62.4 mt -64.26 120.5 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.423 HG13 ' HG2' ' A' ' 24' ' ' GLU . 10.0 m -103.9 -30.26 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.6 m -146.8 136.41 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.699 HG13 HG22 ' A' ' 53' ' ' VAL . 58.8 mt -120.42 100.95 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.61 135.61 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HA ' ' CG ' ' A' ' 46' ' ' HIS . 44.5 mtt85 -61.86 -38.41 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.75 41.87 2.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.67 146.9 18.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.434 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.3 p -49.85 -31.79 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.47 90.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.05 -59.27 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.947 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.765 HD21 HG11 ' A' ' 10' ' ' VAL . 83.6 mt . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.88 0.371 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG3' ' C ' ' A' ' 51' ' ' LEU . 51.5 mttt -151.56 153.64 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.699 HG22 HG13 ' A' ' 39' ' ' ILE . 79.6 t -66.6 109.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.23 2.18 4.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.2 m170 -76.53 172.63 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.489 HG12 HD23 ' A' ' 58' ' ' LEU . 99.5 t -132.69 110.51 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.487 HG21 ' CG2' ' A' ' 60' ' ' VAL . 22.2 mt -74.16 111.0 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.501 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.3 mt -97.93 -25.94 14.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -147.43 145.94 29.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.487 ' CG2' HG21 ' A' ' 57' ' ' ILE . 86.1 t -144.54 117.52 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.89 30.54 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.08 -28.92 9.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.22 120.64 24.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 142.64 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD13 ' HG3' ' A' ' 34' ' ' PRO . 51.3 mt -98.52 14.27 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HA ' HD11 ' A' ' 33' ' ' LEU . 4.0 ptt85 -55.15 -29.1 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.18 35.47 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -123.15 148.75 45.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 72' ' ' GLU . 41.2 mt-10 -91.88 152.36 20.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.448 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 14.1 t60 -37.13 -48.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -65.82 -39.88 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 4.1 tp10 -63.59 -40.17 96.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.484 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -66.19 -50.4 64.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.11 -38.07 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -73.96 -44.73 53.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 73' ' ' ALA . 73.5 mt -54.94 -50.54 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.18 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.26 -46.58 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -55.52 -34.78 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -28.13 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -76.29 -48.88 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 83' ' ' THR . 36.8 mtmt -58.7 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' LYS . 7.5 t -34.68 146.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -107.61 23.99 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -75.64 -36.01 60.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -145.5 154.81 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.14 29.46 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 88' ' ' TYR . 5.1 p90 -161.03 169.06 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 82.9 mt -131.64 120.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.432 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.91 125.97 28.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -125.03 104.07 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.501 HD23 ' HB2' ' A' ' 58' ' ' LEU . 13.5 tp -85.02 104.81 15.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' THR . 27.3 m -116.76 155.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 94' ' ' THR . 8.8 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -115.5 104.25 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -67.35 128.76 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.731 ' N ' HD13 ' A' ' 9' ' ' LEU . 21.7 t -117.59 114.14 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -81.72 100.54 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.8 t -90.99 113.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -74.37 145.64 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -78.08 48.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -67.55 -44.33 78.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.84 131.29 40.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.38 -45.47 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.4 p -134.41 145.95 49.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.72 129.57 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.27 101.49 0.61 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.5 pt -144.53 153.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -130.46 141.96 50.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.464 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -141.19 177.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.412 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.2 pt-20 -156.03 176.31 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.696 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 93.35 -146.14 17.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.6 153.68 7.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -62.33 -59.79 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.696 HG21 ' HA2' ' A' ' 25' ' ' GLY . 9.9 t -74.77 162.47 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -42.14 -27.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.449 ' H ' HG23 ' A' ' 29' ' ' THR . 33.2 tp60 -85.17 113.24 49.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.28 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.9 mm? -99.64 155.87 36.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.778 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.3 Cg_endo -69.68 145.9 59.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.741 2.294 . . . . 0.0 112.327 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.422 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.7 ttt-85 -121.97 129.4 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.694 HD12 ' HB2' ' A' ' 55' ' ' HIS . 65.6 mt -63.44 115.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.412 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 19.2 m -102.01 -32.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 59.8 m -146.41 139.13 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -122.51 100.08 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -47.24 153.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 26.5 ttm180 -75.11 -28.99 60.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.04 46.88 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -124.9 131.99 7.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.489 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 22.4 p -34.96 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -65.47 -51.43 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 15.9 t-80 -49.74 -65.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' C ' ' HD3' ' A' ' 52' ' ' LYS . 67.8 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.869 0.366 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HD3' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -155.45 147.96 23.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.12 119.56 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.412 ' HA2' ' NH1' ' A' ' 35' ' ' ARG . . . 124.51 -1.39 8.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.694 ' HB2' HD12 ' A' ' 36' ' ' ILE . 26.6 m170 -76.22 171.92 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 34' ' ' PRO . 91.9 t -133.59 105.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CG2' HG23 ' A' ' 60' ' ' VAL . 44.6 mt -67.99 107.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.48 HD12 ' HG ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -94.24 -25.87 16.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -149.19 144.71 26.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.786 HG11 ' HA ' ' A' ' 77' ' ' ILE . 53.3 t -140.48 113.18 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 66.72 30.27 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.24 -27.86 12.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.55 119.03 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 t -78.33 138.71 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.778 HD13 ' HG3' ' A' ' 34' ' ' PRO . 95.2 mt -89.32 18.18 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -60.4 137.94 58.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.61 28.96 31.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -115.85 140.7 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.9 mt-10 -77.65 140.27 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 2.0 t60 -35.79 -44.47 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -59.32 -48.91 79.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -57.61 -39.43 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -65.25 -51.14 62.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.43 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -77.45 -40.74 42.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.75 -47.05 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.786 ' HA ' HG11 ' A' ' 60' ' ' VAL . 23.0 mt -61.68 -53.28 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.62 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -55.0 -31.55 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -27.32 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -81.7 -41.15 21.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.39 -49.81 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -48.11 149.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -104.41 27.55 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.77 -51.45 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -135.96 143.12 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 2.8 m-20 -81.26 41.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -173.17 179.39 2.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 89.5 mt -139.12 118.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.608 ' CB ' HD11 ' A' ' 9' ' ' LEU . 38.8 m-20 -77.25 110.04 11.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -102.61 106.32 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.48 ' HG ' HD12 ' A' ' 58' ' ' LEU . 12.0 tp -85.43 103.61 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.03 161.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 94' ' ' THR . 9.1 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -53.83 173.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 p -66.03 -45.58 80.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.39 98.56 1.08 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -74.08 -48.07 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.888 0.375 . . . . 0.0 110.867 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.0 p -72.54 103.07 3.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.03 161.27 10.01 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.406 ' O ' HG23 ' A' ' 10' ' ' VAL . 60.9 m -132.4 104.4 6.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.869 0.366 . . . . 0.0 111.165 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.675 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -56.97 124.64 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.675 ' N ' HD13 ' A' ' 9' ' ' LEU . 60.0 t -117.49 119.6 62.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.6 ttm105 -94.77 117.36 30.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.25 111.9 38.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.04 144.67 47.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG3' ' C ' ' A' ' 87' ' ' ASP . 13.3 mttm -75.51 57.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.7 t -67.69 -44.78 76.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.58 156.64 38.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.063 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.15 -25.19 64.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.6 p -150.65 131.74 14.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.6 tp -72.35 129.34 38.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.14 97.83 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 5.2 pt -139.53 144.08 29.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 111.099 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.68 141.44 52.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.092 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.516 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.6 pt -140.37 177.42 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.413 ' CD ' HG11 ' A' ' 37' ' ' VAL . 17.7 pt-20 -156.28 171.64 19.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.69 -141.99 15.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 122.69 153.26 8.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.472 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.33 -63.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.816 0.341 . . . . 0.0 111.1 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -41.4 -49.78 3.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 61.9 p -75.48 149.87 38.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 14.1 ptt85 -36.15 -41.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tp60 -79.99 116.52 61.83 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.578 0.704 . . . . 0.0 110.955 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.94 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.714 2.276 . . . . 0.0 112.347 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.2 mm? -96.88 149.96 36.33 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.532 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.75 138.98 39.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' CZ ' ' O ' ' A' ' 54' ' ' GLY . 58.4 ttt85 -116.22 130.79 56.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.541 HD12 ' HB2' ' A' ' 55' ' ' HIS . 61.7 mt -64.1 116.58 3.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.413 HG11 ' CD ' ' A' ' 24' ' ' GLU . 5.7 m -101.45 -32.72 3.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 38.4 m -144.76 135.36 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.155 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.534 HG13 HG22 ' A' ' 53' ' ' VAL . 73.9 mt -118.29 101.78 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -49.74 148.27 3.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -67.97 -54.44 18.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -78.41 48.9 3.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.436 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.88 136.23 9.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.5 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 58.5 m -38.25 -53.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.861 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -45.02 -61.87 1.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -52.78 -62.18 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.844 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -42.29 -30.1 0.3 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 14.2 t -74.4 -48.85 25.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 87.7 -30.5 4.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.529 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -49.86 -42.25 47.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.53 ' CD2' HG11 ' A' ' 10' ' ' VAL . 58.2 mt -88.39 158.63 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.445 ' H ' ' CE1' ' A' ' 55' ' ' HIS . 35.0 mtpt -136.39 167.13 21.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.534 HG22 HG13 ' A' ' 39' ' ' ILE . 90.8 t -77.6 113.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.064 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.49 ' O ' ' CZ ' ' A' ' 35' ' ' ARG . . . 127.8 11.16 3.32 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.577 ' CD2' ' HG2' ' A' ' 95' ' ' GLU . 20.4 m170 -84.41 173.49 10.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG12 HD23 ' A' ' 58' ' ' LEU . 67.3 t -134.54 109.82 12.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.101 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG22 HD12 ' A' ' 65' ' ' LEU . 12.4 mt -74.12 112.64 11.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD23 HG12 ' A' ' 56' ' ' VAL . 1.7 mt -101.02 -25.56 14.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -150.74 136.66 18.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.456 ' CG2' HG21 ' A' ' 57' ' ' ILE . 56.4 t -130.85 112.42 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 m120 61.7 29.58 18.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -33.39 6.29 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.501 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.79 115.95 14.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.875 0.369 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.402 ' H ' HG22 ' A' ' 64' ' ' THR . 0.1 OUTLIER -76.59 139.72 40.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.622 ' HB2' HD12 ' A' ' 33' ' ' LEU . 86.8 mt -94.57 16.94 14.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -67.37 131.05 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 27' ' ' ALA . . . 68.55 8.28 55.78 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -98.77 146.52 25.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.802 0.334 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.1 mt-10 -82.92 141.83 31.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.516 ' CE1' HG13 ' A' ' 23' ' ' ILE . 2.0 t60 -37.1 -45.95 0.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -54.36 47.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -52.51 -35.66 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.628 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -68.62 -51.56 40.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.089 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.1 -37.51 3.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -73.36 -42.87 61.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.628 HD12 ' HA ' ' A' ' 73' ' ' ALA . 31.2 mt -57.68 -49.37 80.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.69 -51.54 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.33 -44.32 68.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.097 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -57.58 -33.37 68.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.53 -22.38 62.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.413 ' HA ' ' HZ2' ' A' ' 14' ' ' LYS . 5.0 t80 -84.0 -41.99 16.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.4 mtmm -56.94 -59.24 5.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 10.0 t -39.71 157.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 85' ' ' ASP . 67.9 mttt -113.07 -28.98 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 84' ' ' LYS . 9.2 m-20 -35.98 -50.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -114.39 140.47 48.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.43 ' C ' ' HG3' ' A' ' 14' ' ' LYS . 5.0 p-10 -100.47 39.67 1.34 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 88' ' ' TYR . 4.2 p90 -167.15 172.71 9.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.404 ' CG1' ' NZ ' ' A' ' 14' ' ' LYS . 6.6 mt -133.9 125.58 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.104 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.516 ' CG ' HD21 ' A' ' 9' ' ' LEU . 1.0 OUTLIER -77.29 127.26 32.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -126.12 103.96 7.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.447 HD23 ' HB2' ' A' ' 58' ' ' LEU . 9.0 tp -87.85 109.82 20.05 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.8 m -119.48 161.03 19.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.425 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 1.9 t -120.28 -20.26 7.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.577 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 2.4 mt-10 59.3 45.26 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.425 ' CZ ' HG21 ' A' ' 94' ' ' THR . 11.9 m-85 -37.68 145.26 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -90.1 81.4 6.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 99' ' ' GLY . 78.5 p -75.9 129.98 37.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 98' ' ' SER . . . 36.04 80.73 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -17.84 37.3 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.651 2.234 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.2 t -42.57 -50.04 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.6 m -105.38 -64.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.521 179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 m -62.48 120.2 10.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 m -103.77 166.85 10.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.16 -86.42 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 p -143.92 134.62 25.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -86.6 145.94 26.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.913 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 110.31 134.62 6.81 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 89.1 m -124.89 107.25 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.87 0.367 . . . . 0.0 111.126 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.763 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.6 OUTLIER -65.8 127.7 33.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.581 ' N ' HD13 ' A' ' 9' ' ' LEU . 39.5 t -118.22 105.83 18.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -80.03 112.18 17.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.431 HG12 ' HB2' ' A' ' 44' ' ' SER . 74.0 t -104.11 108.01 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.48 139.06 51.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 46.9 mttt -76.59 59.84 1.56 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.0 t -76.49 -40.72 49.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.36 -177.29 0.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -83.09 -40.9 19.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -142.06 165.55 27.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tp -93.71 113.42 25.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -113.11 104.88 1.59 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.454 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.4 pt -152.53 150.56 12.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.842 0.353 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -126.58 147.03 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -145.88 176.53 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.464 ' HG2' HG13 ' A' ' 37' ' ' VAL . 16.1 pt-20 -154.49 177.77 10.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.99 -147.71 18.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.74 ' O ' HG22 ' A' ' 29' ' ' THR . . . 135.95 151.59 6.17 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -18.77 2.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 111.085 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -86.27 14.72 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.891 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.9 t -148.42 174.83 11.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -48.55 -35.0 12.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.582 ' H ' HG23 ' A' ' 29' ' ' THR . 34.0 tp60 -89.73 109.89 35.55 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.596 0.712 . . . . 0.0 110.956 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 31' ' ' GLN . 53.5 Cg_endo -69.71 -45.74 1.5 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.716 2.277 . . . . 0.0 112.322 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.583 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.0 mm? -102.56 153.05 38.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 0.0 110.948 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 137.09 34.52 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.712 2.275 . . . . 0.0 112.321 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' HG22 ' A' ' 23' ' ' ILE . 44.9 ttt-85 -115.11 130.09 56.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.459 HD12 ' HB2' ' A' ' 55' ' ' HIS . 58.3 mt -66.44 115.31 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.464 HG13 ' HG2' ' A' ' 24' ' ' GLU . 13.5 m -100.32 -30.84 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -148.51 135.08 19.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.164 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 76.6 mt -117.18 103.02 14.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -48.11 128.78 14.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.474 ' HG3' ' CD2' ' A' ' 46' ' ' HIS . 22.8 ttt-85 -85.74 79.32 9.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 158.32 39.09 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -144.13 -159.52 8.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.431 ' HB2' HG12 ' A' ' 12' ' ' VAL . 88.8 p -72.37 -36.65 68.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.91 0.386 . . . . 0.0 110.853 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 46' ' ' HIS . . . -67.3 -65.69 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.086 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.474 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 8.0 t-160 -37.88 -56.33 1.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -48.51 -43.73 35.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.874 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' GLN . 5.6 t -75.58 68.72 2.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.78 -25.45 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' CYS . 32.0 tp60 -45.52 -41.91 10.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.936 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' CD2' HG11 ' A' ' 10' ' ' VAL . 91.9 mt -80.36 164.77 22.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.925 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -150.27 164.65 35.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.83 115.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.21 -0.1 7.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.459 ' HB2' HD12 ' A' ' 36' ' ' ILE . 16.0 m170 -73.79 173.36 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.409 HG12 HD23 ' A' ' 58' ' ' LEU . 67.6 t -135.66 106.88 6.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.517 HG21 ' CG2' ' A' ' 60' ' ' VAL . 29.4 mt -73.42 110.2 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.409 HD23 HG12 ' A' ' 56' ' ' VAL . 1.3 mt -93.52 -35.82 12.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -139.59 142.72 37.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.517 ' CG2' HG21 ' A' ' 57' ' ' ILE . 98.0 t -136.46 112.21 11.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.477 ' OD1' HG23 ' A' ' 89' ' ' ILE . 4.8 m120 61.36 33.33 18.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.66 -30.57 7.72 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.684 HD22 HG23 ' A' ' 76' ' ' ILE . 4.9 mp -66.7 131.85 46.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.954 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.18 140.59 29.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.135 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.583 ' HB2' HD12 ' A' ' 33' ' ' LEU . 78.8 mt -110.54 1.78 18.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.52 ' HA ' HD11 ' A' ' 33' ' ' LEU . 12.4 ptt180 -48.36 -29.65 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -125.86 32.4 3.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 65' ' ' LEU . 57.3 mmtt -116.18 147.02 41.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.751 0.31 . . . . 0.0 110.873 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 72' ' ' GLU . 30.8 mt-10 -89.72 145.11 25.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.473 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 9.1 t60 -34.37 -42.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -67.8 -47.43 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.0 tt0 -59.4 -39.93 85.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.31 -50.27 66.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.77 -38.32 6.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -74.19 -46.25 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.684 HG23 HD22 ' A' ' 63' ' ' LEU . 79.4 mt -53.44 -50.09 50.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.154 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 36.6 mt -59.35 -49.65 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.59 -44.87 69.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.055 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -56.97 -31.77 65.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.68 -15.22 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -94.43 -40.1 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.6 mttt -59.16 -60.84 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.9 t -40.67 147.64 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 85' ' ' ASP . 3.9 tmtm? -96.66 -38.26 10.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 84' ' ' LYS . 26.1 t70 -37.86 -59.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -88.65 129.46 35.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -101.79 36.34 2.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.477 ' N ' ' HE3' ' A' ' 14' ' ' LYS . 54.6 p90 -173.73 -179.11 1.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.477 HG23 ' OD1' ' A' ' 61' ' ' ASN . 74.8 mt -144.98 118.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.763 ' HB3' HD11 ' A' ' 9' ' ' LEU . 79.2 m-20 -74.39 128.68 36.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.838 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -122.88 103.3 8.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.434 HD11 ' HA3' ' A' ' 7' ' ' GLY . 11.8 tp -87.94 102.32 14.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.7 m -111.37 162.94 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 94' ' ' THR . 10.0 t -146.19 106.11 4.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.142 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -61.59 81.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' THR . 17.0 m-85 -57.79 94.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.935 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -137.54 128.35 27.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 t -125.84 90.6 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 122.34 167.94 13.13 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -36.73 10.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.689 2.26 . . . . 0.0 112.314 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 67.6 p -128.6 111.53 13.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.82 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 103' ' ' GLY . 26.6 p -115.24 148.43 39.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 102' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.52 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p 38.73 41.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.6 p -52.94 121.4 7.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.23 -125.3 6.84 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.479 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 t -104.85 111.08 23.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.2 p -104.23 134.03 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.507 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 125.17 152.53 8.28 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.532 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.4 m -132.38 101.86 5.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.811 0.338 . . . . 0.0 111.162 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.626 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.6 OUTLIER -61.16 125.47 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.891 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.626 ' N ' HD13 ' A' ' 9' ' ' LEU . 24.1 t -117.47 116.68 52.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.092 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.1 ttm180 -85.27 103.38 14.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.6 t -90.44 111.94 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -76.49 141.26 41.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.44 ' HE3' ' N ' ' A' ' 88' ' ' TYR . 60.5 mttt -76.61 49.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -67.04 -46.71 73.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.85 153.15 35.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.09 91.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 19.6 p -125.18 143.12 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.152 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tp -55.23 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 74.41 87.56 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.582 HD11 HG21 ' A' ' 77' ' ' ILE . 27.6 pt -149.25 144.32 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.824 0.345 . . . . 0.0 111.115 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -127.13 140.18 52.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.73 176.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' CD ' HG11 ' A' ' 37' ' ' VAL . 26.5 pt-20 -156.09 153.61 29.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.673 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 114.93 -147.45 18.9 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.424 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 138.28 147.83 5.24 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.481 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.86 -24.87 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 0.0 111.081 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 26' ' ' GLY . 16.7 t-20 -69.11 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.673 HG21 ' HA2' ' A' ' 25' ' ' GLY . 3.6 t -60.88 178.86 0.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' N ' ' OG1' ' A' ' 29' ' ' THR . 20.8 ttm-85 -57.65 -29.19 64.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -85.66 116.38 65.39 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.451 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.7 Cg_endo -69.72 -50.87 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.617 HD11 ' HA ' ' A' ' 66' ' ' ARG . 2.8 mm? -101.06 154.84 36.92 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.708 . . . . 0.0 110.933 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 142.41 47.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.686 2.257 . . . . 0.0 112.38 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.458 ' C ' HG22 ' A' ' 23' ' ' ILE . 43.4 ttt180 -120.14 130.15 54.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.465 HD12 ' HB2' ' A' ' 55' ' ' HIS . 64.3 mt -64.91 122.59 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.419 HG11 ' CD ' ' A' ' 24' ' ' GLU . 7.8 m -106.57 -30.71 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -145.86 139.78 26.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.765 HG13 HG22 ' A' ' 53' ' ' VAL . 70.0 mt -121.75 100.51 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -43.77 137.63 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 31.2 ttt180 -66.68 -56.31 11.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.99 51.27 2.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -137.21 172.2 22.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.499 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -70.74 -50.91 31.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.901 0.381 . . . . 0.0 110.89 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.3 -50.14 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.575 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.6 t-160 -61.15 -57.8 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.854 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -43.14 -48.87 6.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 96.7 m -79.62 87.3 5.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.67 -20.99 0.72 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.458 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -43.21 -26.77 0.19 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.857 0.36 . . . . 0.0 110.929 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.485 ' HG ' HG11 ' A' ' 10' ' ' VAL . 23.3 mt -110.37 164.77 12.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -150.17 155.49 39.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.765 HG22 HG13 ' A' ' 39' ' ' ILE . 54.4 t -66.98 107.82 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.125 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.55 -7.04 3.92 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.508 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.465 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -67.7 174.13 3.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.482 HG12 HD23 ' A' ' 58' ' ' LEU . 94.9 t -135.27 108.91 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.121 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.497 HG22 HD12 ' A' ' 65' ' ' LEU . 20.0 mt -72.47 116.83 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.482 HD23 HG12 ' A' ' 56' ' ' VAL . 2.0 mt -103.1 -27.62 12.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -147.26 142.7 27.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -135.41 111.81 13.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.132 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 59.32 35.22 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 95.38 -30.96 7.52 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.0 131.55 45.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 0.0 110.957 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -88.05 145.07 26.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.519 ' C ' ' CD1' ' A' ' 33' ' ' LEU . 91.7 mt -112.08 6.29 19.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.617 ' HA ' HD11 ' A' ' 33' ' ' LEU . 11.9 ptt180 -50.45 -35.6 29.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -122.09 38.97 2.43 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.543 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -121.53 148.01 45.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' GLU . 27.4 mt-10 -93.75 146.51 23.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.564 ' CE1' HG13 ' A' ' 23' ' ' ILE . 8.3 t60 -35.96 -42.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.425 ' C ' ' CD ' ' A' ' 71' ' ' ARG . 0.2 OUTLIER -66.82 -47.02 73.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 69' ' ' GLU . 6.7 tt0 -61.7 -41.59 97.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.39 -47.63 78.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.03 -38.03 10.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 29.2 ttt180 -73.87 -45.67 49.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 77.9 mt -54.44 -49.16 67.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.582 HG21 HD11 ' A' ' 21' ' ' ILE . 20.8 mt -59.54 -49.96 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.09 -45.2 75.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.056 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -56.93 -32.33 65.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.0 -29.55 66.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -80.79 -41.53 23.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.22 -57.76 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 14.1 t -38.67 149.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -105.74 25.59 10.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -78.21 -66.58 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.519 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.2 ptp180 -113.04 144.91 41.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -87.03 38.29 0.8 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.519 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 14.0 p90 -170.33 -179.53 3.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 49.4 mt -142.13 121.42 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -76.91 118.5 19.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.402 ' CZ ' HG23 ' A' ' 77' ' ' ILE . 55.9 m-85 -116.36 106.34 13.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.507 HD11 ' HA3' ' A' ' 7' ' ' GLY . 9.8 tp -86.67 104.04 15.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.0 m -113.57 162.45 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 94' ' ' THR . 5.5 t -149.96 105.4 3.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -60.7 91.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -61.42 150.57 35.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -121.77 120.86 35.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.7 p -135.46 126.43 27.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -109.15 84.69 0.37 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.431 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.68 10.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 82.2 p 45.98 51.91 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.4 p -137.71 157.71 45.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 p -167.43 157.7 10.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -49.97 -52.7 31.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.74 -130.17 10.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.459 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -138.7 170.27 16.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.1 p -96.83 129.52 44.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.87 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.85 144.72 4.2 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.5 m -116.29 115.43 25.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.159 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.512 HD13 ' N ' ' A' ' 10' ' ' VAL . 1.2 tm? -64.56 119.51 10.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.512 ' N ' HD13 ' A' ' 9' ' ' LEU . 49.0 t -108.36 138.65 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 ttp-105 -108.05 109.01 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.6 t -104.97 108.35 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -73.0 145.04 46.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.2 mttt -76.43 54.65 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.1 t -59.94 -41.86 92.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.13 177.65 8.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.57 -29.32 20.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 43.8 p -140.45 153.29 46.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.143 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 37.9 tp -84.86 140.59 31.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.546 ' C ' ' NE2' ' A' ' 40' ' ' GLN . . . -138.14 88.79 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.515 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.576 ' N ' HE22 ' A' ' 40' ' ' GLN . 6.2 pt -139.79 149.34 22.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.825 0.345 . . . . 0.0 111.109 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -124.87 142.69 51.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.513 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -140.4 176.44 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.408 ' CD ' HG11 ' A' ' 37' ' ' VAL . 18.6 pt-20 -158.43 151.52 22.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.97 -144.4 16.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.535 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 126.14 153.74 8.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.5 -58.88 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 111.071 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -46.85 -48.37 21.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.428 ' O ' ' C ' ' A' ' 30' ' ' ARG . 44.7 p -76.18 150.78 37.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 29' ' ' THR . 7.2 tpt180 -35.88 -44.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -77.38 116.47 58.02 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.623 0.725 . . . . 0.0 110.932 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -46.74 1.13 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.607 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.5 mm? -101.03 155.24 36.54 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.706 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.74 138.56 38.18 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' C ' HG22 ' A' ' 23' ' ' ILE . 22.9 ttp180 -117.33 126.36 52.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.532 HD12 ' HB2' ' A' ' 55' ' ' HIS . 48.5 mt -64.67 115.07 2.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.139 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.408 HG11 ' CD ' ' A' ' 24' ' ' GLU . 11.2 m -101.65 -30.01 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.11 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.2 m -148.37 138.1 22.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 81.5 mt -121.38 96.88 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.576 HE22 ' N ' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -53.11 139.54 28.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.98 179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' HG2' ' CE1' ' A' ' 46' ' ' HIS . 44.1 mtp180 -78.13 167.69 21.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.814 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 81.0 -37.27 2.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.449 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -64.2 -171.93 2.51 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.4 p -77.69 -39.48 44.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.886 0.374 . . . . 0.0 110.894 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' ILE . . . -51.15 -59.45 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.115 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.497 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.8 t-160 -56.02 -45.94 78.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -44.3 -51.27 8.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.2 m -82.58 85.44 6.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -45.49 -23.51 0.86 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -40.88 -53.35 2.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 110.874 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.9 mt -75.38 166.85 22.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.879 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 mtmm -151.49 158.65 43.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.65 116.32 10.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 123.96 4.18 8.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.532 ' HB2' HD12 ' A' ' 36' ' ' ILE . 10.7 m170 -76.32 176.83 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.891 0.376 . . . . 0.0 110.822 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.431 HG12 HD23 ' A' ' 58' ' ' LEU . 66.1 t -136.25 106.06 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.162 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.43 HG21 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -73.95 110.76 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.055 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.439 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.2 mt -97.32 -26.07 15.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.935 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -147.19 144.41 28.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.569 HG11 ' HA ' ' A' ' 77' ' ' ILE . 46.0 t -139.9 116.95 9.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 60.43 31.54 20.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.8 -31.28 7.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.16 117.12 18.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.914 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.49 132.82 39.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.13 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.706 HD13 ' HG3' ' A' ' 34' ' ' PRO . 56.7 mt -84.4 14.34 4.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -60.93 134.1 56.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 61.08 23.95 62.43 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.518 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -112.21 141.46 45.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.739 0.304 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.1 mt-10 -78.64 141.2 38.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.513 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.7 t60 -34.44 -46.65 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -59.04 -55.51 34.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -49.86 -38.51 35.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.542 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -68.51 -49.33 60.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.111 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.33 -33.82 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.083 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -78.03 -43.6 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.529 HD12 ' HA ' ' A' ' 73' ' ' ALA . 47.0 mt -57.76 -47.03 86.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.569 ' HA ' HG11 ' A' ' 60' ' ' VAL . 32.6 mt -60.33 -52.57 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.84 -41.96 67.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.65 -29.32 67.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.426 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -72.43 -20.77 61.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.125 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.404 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 5.9 t80 -86.99 -40.93 14.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 83' ' ' THR . 35.7 mttm -61.66 -63.25 1.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 82' ' ' LYS . 12.8 t -36.62 149.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.183 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -107.13 29.77 6.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -77.43 -49.75 14.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 88' ' ' TYR . 0.6 OUTLIER -135.77 144.96 46.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -83.26 39.57 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.475 ' O ' ' CG ' ' A' ' 86' ' ' ARG . 25.3 p90 -169.29 174.37 6.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.426 HG12 ' HB1' ' A' ' 80' ' ' ALA . 94.9 mt -135.36 119.22 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.112 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -70.85 114.38 8.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -111.48 104.16 12.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 58' ' ' LEU . 10.2 tp -83.99 112.17 19.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.92 163.87 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 2.9 t -125.5 -15.33 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.133 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 96' ' ' PHE . 2.5 tm-20 43.91 52.27 6.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 95' ' ' GLU . 16.2 m-85 -37.66 139.6 0.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -54.83 -52.08 63.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.6 t -95.58 137.78 34.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -162.35 83.07 0.12 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.454 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 147.19 62.0 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.656 2.237 . . . . 0.0 112.353 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.3 m -126.93 169.0 13.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 46.9 t -132.05 104.84 7.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.511 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -63.26 -42.66 99.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.4 t -81.05 91.65 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.98 171.4 16.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.473 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.8 p -154.04 128.3 9.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.2 m -88.19 153.52 21.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.823 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . -177.18 150.3 10.1 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.45 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 99.1 m -129.32 110.02 11.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.837 0.351 . . . . 0.0 111.12 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -73.99 121.33 20.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.653 ' N ' HD13 ' A' ' 9' ' ' LEU . 59.2 t -115.55 122.55 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.2 ttm180 -96.72 102.12 13.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.5 t -97.09 115.7 37.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -76.24 132.99 40.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.588 ' HD2' ' CD1' ' A' ' 81' ' ' PHE . 4.8 mtmp? -75.83 51.59 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -77.72 -29.97 51.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.79 155.69 39.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.93 -33.78 75.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t -149.81 151.49 33.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.765 HD23 ' N ' ' A' ' 20' ' ' GLY . 2.1 tt -82.34 144.03 30.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.765 ' N ' HD23 ' A' ' 19' ' ' LEU . . . -147.68 87.7 0.15 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.648 HD11 HG21 ' A' ' 77' ' ' ILE . 24.6 pt -135.21 132.4 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.32 144.7 37.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.155 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.476 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.4 pt -144.38 175.9 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.131 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -151.65 -179.95 7.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 79.99 -157.38 41.19 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.46 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.815 ' O ' HG22 ' A' ' 29' ' ' THR . . . 142.53 153.82 6.0 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.463 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.76 -24.42 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.117 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' GLY . 27.6 t-20 -90.26 40.21 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.815 HG22 ' O ' ' A' ' 26' ' ' GLY . 10.6 t -174.92 162.6 3.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 30' ' ' ARG . 2.7 tmt_? -37.45 -35.24 0.12 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.4 tp60 -93.12 112.14 54.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.704 . . . . 0.0 110.934 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.9 mm? -99.3 154.8 37.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.635 0.731 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.719 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.77 139.81 41.11 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.71 2.273 . . . . 0.0 112.366 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' C ' HG22 ' A' ' 23' ' ' ILE . 46.3 ttp85 -117.91 127.04 53.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.89 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 49.4 mt -65.89 112.68 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.1 m -97.57 -29.5 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.5 m -147.1 141.63 26.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.5 mt -122.77 97.8 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -51.04 129.21 23.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.8 ttm105 -60.39 144.39 50.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.905 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 43' ' ' GLY . . . 91.12 -51.55 3.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.448 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 42' ' ' GLY . . . -35.06 147.26 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.453 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 28.2 p -45.59 -27.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.08 -62.82 1.22 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 47' ' ' ASN . 3.2 t-160 -60.85 -52.32 65.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 46' ' ' HIS . 41.5 t-20 -35.89 -52.41 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 m -64.26 -45.13 89.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 85.12 -25.6 6.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.539 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -45.45 -30.66 1.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.6 mt -93.04 166.88 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -147.51 141.24 25.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 94.5 t -55.02 113.65 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.54 0.37 6.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -76.02 176.35 8.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.845 0.355 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.441 HG12 HD23 ' A' ' 58' ' ' LEU . 97.1 t -137.65 109.53 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.552 HG21 ' CG2' ' A' ' 60' ' ' VAL . 28.9 mt -74.15 109.16 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.154 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.441 HD23 HG12 ' A' ' 56' ' ' VAL . 1.1 mt -95.2 -25.98 16.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -150.42 144.09 25.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.552 ' CG2' HG21 ' A' ' 57' ' ' ILE . 88.6 t -141.36 124.18 15.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 57.33 31.01 19.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 92.8 -29.25 8.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -78.49 117.85 20.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.9 0.381 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.9 t -79.76 143.16 34.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.132 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.719 HD13 ' HG3' ' A' ' 34' ' ' PRO . 80.7 mt -99.68 10.21 41.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.563 ' HA ' HD11 ' A' ' 33' ' ' LEU . 3.4 ppt_? -43.93 -37.21 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' N ' ' HD2' ' A' ' 66' ' ' ARG . . . -124.97 43.24 1.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.517 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 54.7 mmtt -125.48 142.28 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.745 0.307 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 23.6 mt-10 -84.24 144.9 28.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.476 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 7.2 t60 -34.56 -41.26 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 71' ' ' ARG . 3.1 tmt_? -67.85 -50.13 58.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 69' ' ' GLU . 7.1 tp10 -57.59 -37.51 73.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -67.02 -54.47 21.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.76 -35.42 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.148 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.69 -45.81 34.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' ALA . 61.3 mt -54.28 -49.7 61.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.109 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.648 HG21 HD11 ' A' ' 21' ' ' ILE . 22.1 mt -60.53 -49.35 84.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.073 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.34 -44.19 75.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -58.16 -30.9 66.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.84 -23.8 62.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.588 ' CD1' ' HD2' ' A' ' 14' ' ' LYS . 2.9 t80 -81.0 -40.41 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -59.02 -60.77 3.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.5 t -38.74 145.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -100.59 -30.79 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -39.45 -59.69 1.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.418 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 38.7 ttm-85 -89.5 140.17 29.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -101.66 25.98 7.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.418 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 33.6 p90 -168.09 172.43 8.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.404 HD11 ' HD1' ' A' ' 81' ' ' PHE . 87.6 mt -129.78 116.03 36.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.144 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.437 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.78 130.33 42.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -128.32 102.75 6.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.448 HD11 ' HA3' ' A' ' 7' ' ' GLY . 12.1 tp -84.25 104.84 14.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -114.31 157.44 14.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.09 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 94' ' ' THR . 10.0 t -141.95 106.51 4.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.12 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -62.52 80.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.08 90.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 32.5 t30 -38.79 115.33 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.1 p -174.51 136.28 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -135.01 146.18 18.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.489 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 128.05 15.51 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.629 2.22 . . . . 0.0 112.397 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.1 t -120.31 94.65 4.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 52.3 m -134.13 133.36 40.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.82 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -131.87 42.03 3.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -150.42 151.36 32.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.874 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.82 48.75 63.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.3 p -153.62 147.84 25.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.861 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -139.12 107.2 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.564 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 177.28 132.74 1.71 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.451 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.9 m -111.45 107.3 16.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 111.149 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -61.01 121.72 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.62 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.8 t -113.25 106.18 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.405 HH11 ' CB ' ' A' ' 11' ' ' ARG . 5.8 ttp-105 -83.1 107.03 15.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.2 t -100.83 99.4 8.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.48 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -69.02 142.18 54.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.48 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 33.3 mttt -68.98 83.6 0.32 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 t -93.63 -46.62 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.62 -175.0 1.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.098 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.21 -40.36 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -153.25 131.78 12.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 tp -56.9 140.57 48.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -139.54 99.54 0.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 11.8 pt -146.14 148.39 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 111.09 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.68 149.75 42.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.427 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -144.16 175.54 3.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.466 ' HG2' HG13 ' A' ' 37' ' ' VAL . 18.4 pt-20 -155.84 146.6 22.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.29 -154.76 20.48 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.456 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 148.07 142.37 3.64 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.526 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.02 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.835 0.35 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -64.09 -63.2 1.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.9 p -56.26 174.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -51.56 -48.91 62.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.0 tp60 -76.5 116.53 57.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.573 0.701 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.723 2.282 . . . . 0.0 112.326 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.9 mm? -99.64 154.55 37.21 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.584 0.707 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.81 134.21 27.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.427 ' C ' HG22 ' A' ' 23' ' ' ILE . 21.5 ttm180 -114.39 127.36 55.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.621 HD12 ' HB2' ' A' ' 55' ' ' HIS . 57.8 mt -60.07 124.51 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.466 HG13 ' HG2' ' A' ' 24' ' ' GLU . 10.1 m -109.56 -30.8 2.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -150.12 134.71 17.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.554 HG13 HG22 ' A' ' 53' ' ' VAL . 64.5 mt -112.96 103.55 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -46.21 137.67 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.461 HH21 ' CD2' ' A' ' 46' ' ' HIS . 2.2 tpm_? -65.3 -46.79 79.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.93 65.71 3.69 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.507 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -152.63 159.76 28.61 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.449 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.4 p -56.34 -49.11 75.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.862 0.363 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -44.32 -38.05 3.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.087 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.461 ' CD2' HH21 ' A' ' 41' ' ' ARG . 10.4 t-160 -76.77 -48.63 18.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -48.17 -58.51 4.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.415 ' SG ' ' N ' ' A' ' 49' ' ' GLY . 21.7 p -50.46 -46.71 56.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.415 ' N ' ' SG ' ' A' ' 48' ' ' CYS . . . 81.91 -34.16 2.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -42.19 -47.29 4.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.347 . . . . 0.0 110.956 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.62 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.2 mt -74.72 162.95 28.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -148.61 156.46 42.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.893 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.554 HG22 HG13 ' A' ' 39' ' ' ILE . 95.6 t -66.08 118.72 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.16 -4.93 7.8 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.486 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.621 ' HB2' HD12 ' A' ' 36' ' ' ILE . 26.5 m170 -73.1 170.72 14.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.782 0.325 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.475 HG12 HD23 ' A' ' 58' ' ' LEU . 87.7 t -136.09 112.37 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.441 HG21 ' CG2' ' A' ' 60' ' ' VAL . 11.5 mt -75.57 113.38 14.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.475 HD23 HG12 ' A' ' 56' ' ' VAL . 1.8 mt -98.0 -30.15 12.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -145.75 140.6 27.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' CG2' HG21 ' A' ' 57' ' ' ILE . 85.3 t -131.39 116.8 33.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.093 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 55.64 32.69 19.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 97.25 -32.47 6.66 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -66.38 128.95 38.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -85.54 143.07 28.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.668 ' HB2' HD12 ' A' ' 33' ' ' LEU . 87.6 mt -109.33 5.36 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.954 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.477 ' HA ' HD11 ' A' ' 33' ' ' LEU . 10.8 ptt180 -50.02 -38.74 38.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.82 42.15 1.85 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.455 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -124.9 146.97 49.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.739 0.304 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 70' ' ' HIS . 17.9 mt-10 -90.49 143.9 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.449 ' C ' ' O ' ' A' ' 69' ' ' GLU . 12.8 t60 -34.69 -41.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -49.25 67.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -59.06 -39.86 83.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -62.8 -52.38 63.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.096 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.91 -39.83 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.11 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -71.97 -46.04 58.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 86.7 mt -53.92 -50.42 53.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 37.6 mt -58.2 -50.61 77.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.22 -44.49 75.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -56.68 -31.59 64.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.53 -28.13 66.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -79.61 -44.31 21.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' THR . 62.8 mttt -58.87 -60.52 3.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.409 ' C ' ' O ' ' A' ' 82' ' ' LYS . 9.8 t -36.97 145.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -102.02 -18.13 15.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.53 ' CG ' ' N ' ' A' ' 86' ' ' ARG . 0.3 OUTLIER -52.86 -54.93 27.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.852 179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.535 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 25.0 ttm180 -104.35 118.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -84.08 41.02 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.535 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 43.0 p90 -174.93 175.52 2.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 62.1 mt -137.44 121.32 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.456 ' CB ' HD11 ' A' ' 9' ' ' LEU . 25.6 m-20 -81.15 121.55 26.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -116.86 105.71 12.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.564 HD11 ' HA3' ' A' ' 7' ' ' GLY . 25.2 tp -87.84 110.73 20.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.45 159.99 18.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.487 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 6.6 t -125.33 -8.91 6.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.116 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 96' ' ' PHE . 19.8 tt0 42.5 49.9 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.868 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 94' ' ' THR . 18.7 m-85 -36.33 125.85 0.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -115.66 94.89 4.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -70.57 -56.48 6.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 167.41 -154.63 25.02 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 90.99 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.75 2.3 . . . . 0.0 112.329 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.1 m -65.57 146.16 55.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 p -47.03 -47.69 22.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.46 -179.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -159.15 113.58 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.2 p -82.42 137.02 34.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.4 -66.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 m -69.36 98.21 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 110.873 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 m -48.39 141.77 6.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.36 161.66 11.2 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.6 m -134.77 124.47 25.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.817 0.341 . . . . 0.0 111.144 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.558 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -77.71 119.81 21.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.558 ' N ' HD13 ' A' ' 9' ' ' LEU . 92.3 t -110.76 110.77 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.08 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -83.5 106.35 15.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.5 t -101.65 111.83 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.57 145.13 43.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 30.5 mttm -78.2 49.24 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.6 m -59.2 -45.97 89.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.68 174.74 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.093 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.69 -23.81 29.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.6 t -154.19 130.89 10.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 tp -77.89 109.66 12.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.946 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.93 111.1 3.29 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.422 HD11 HG21 ' A' ' 77' ' ' ILE . 42.9 pt -149.51 155.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 111.149 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.88 150.89 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.43 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.2 pt -145.7 175.71 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' OE1' HG11 ' A' ' 37' ' ' VAL . 19.4 pt-20 -156.55 137.83 13.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.538 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 135.54 -158.02 23.52 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 145.52 145.4 4.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.505 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.01 -23.67 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 111.117 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 26' ' ' GLY . 5.4 t-20 -72.54 -63.67 1.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.538 HG21 ' HA2' ' A' ' 25' ' ' GLY . 14.8 t -62.65 172.37 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 -50.54 -34.02 23.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.531 ' H ' HG23 ' A' ' 29' ' ' THR . 27.5 tp60 -85.06 116.32 64.91 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.581 0.705 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.428 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.8 Cg_endo -69.75 -47.31 0.96 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 65' ' ' LEU . 2.8 mm? -103.68 155.03 37.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.731 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.2 Cg_endo -69.73 140.08 41.9 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' HG22 ' A' ' 23' ' ' ILE . 35.5 ttp180 -117.49 127.87 54.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.611 HD12 ' HB2' ' A' ' 55' ' ' HIS . 53.1 mt -63.71 112.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.493 HG11 ' OE1' ' A' ' 24' ' ' GLU . 10.6 m -98.72 -30.47 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 100.0 m -147.97 136.33 21.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 53' ' ' VAL . 65.3 mt -120.09 104.35 15.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.157 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -52.47 130.87 32.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 9.1 mpt_? -64.29 -40.52 96.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.97 55.78 4.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.43 -175.33 20.16 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.6 p -82.64 -44.58 15.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -51.07 -36.1 38.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.077 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.4 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 12.0 t-80 -77.67 -48.66 16.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -49.5 -62.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 28.8 p -44.32 -47.01 9.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.11 -26.28 4.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.489 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -47.78 -39.8 19.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.489 ' HG ' HG11 ' A' ' 10' ' ' VAL . 36.3 mt -87.14 170.62 11.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -148.52 164.35 34.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.909 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.548 HG22 HG13 ' A' ' 39' ' ' ILE . 78.5 t -77.08 108.51 10.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.079 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.94 4.75 3.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.611 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -78.01 177.07 8.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.853 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.508 HG12 HD23 ' A' ' 58' ' ' LEU . 97.5 t -137.13 109.27 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.119 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.3 mt -74.51 113.22 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.508 HD23 HG12 ' A' ' 56' ' ' VAL . 1.7 mt -100.07 -25.87 14.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -147.27 144.52 28.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.8 t -138.25 109.58 5.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 62.4 30.91 17.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.82 -34.87 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mp -73.52 116.44 14.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.497 HG21 ' HD3' ' A' ' 66' ' ' ARG . 8.0 t -81.76 140.1 34.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD13 ' HG3' ' A' ' 34' ' ' PRO . 61.3 mt -95.62 14.59 22.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.569 ' HA ' HD11 ' A' ' 33' ' ' LEU . 14.6 ptt85 -51.84 -39.89 59.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -118.25 34.34 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.5 mmtt -119.76 147.83 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 70' ' ' HIS . 29.6 mt-10 -90.09 145.99 24.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.444 ' C ' ' O ' ' A' ' 69' ' ' GLU . 7.1 t60 -34.94 -44.72 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -50.68 69.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' GLU . 4.3 tp10 -56.8 -35.36 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.96 -50.97 60.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.078 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.38 -35.32 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 -75.93 -46.09 31.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.2 mt -54.9 -48.72 74.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.422 HG21 HD11 ' A' ' 21' ' ' ILE . 26.0 mt -59.57 -52.25 63.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.65 -42.58 68.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.097 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -59.59 -30.13 68.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.23 -17.28 61.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.504 ' HD1' HD11 ' A' ' 89' ' ' ILE . 4.0 t80 -94.61 -38.08 11.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 83' ' ' THR . 20.4 mttp -63.13 -64.55 0.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' LYS . 10.0 t -36.56 143.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.8 pttt -91.89 -30.3 16.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -43.34 -63.5 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.2 ttm105 -90.19 129.47 36.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.45 24.48 6.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.487 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 10.5 p90 -162.11 173.72 13.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.504 HD11 ' HD1' ' A' ' 81' ' ' PHE . 43.6 mt -131.41 122.52 50.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.425 ' CG ' HD11 ' A' ' 9' ' ' LEU . 58.4 m-20 -81.77 118.88 23.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.866 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -114.4 107.9 16.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 6.2 tp -89.63 107.73 19.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.04 161.19 14.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 t -118.14 -19.02 9.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.54 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 2.6 mt-10 55.1 53.98 9.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -40.22 147.22 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -73.42 82.87 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.8 t -45.41 166.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 158.3 -81.3 0.16 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -28.12 25.73 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 34.2 p -71.04 141.05 50.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 58.1 m -136.9 141.8 42.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.441 179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 t -131.41 126.87 36.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.905 0.383 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -66.22 -53.12 40.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.48 -144.27 17.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.499 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.9 t -107.06 131.25 54.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 0.0 110.888 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -58.52 114.41 2.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 167.93 153.66 8.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.471 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 92.3 m -127.33 114.84 18.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.837 0.351 . . . . 0.0 111.116 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -78.84 121.62 25.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.677 ' N ' HD13 ' A' ' 9' ' ' LEU . 38.4 t -119.69 106.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.084 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HG3' ' CD1' ' A' ' 88' ' ' TYR . 29.6 ttm180 -85.36 102.11 13.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -94.05 101.49 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.102 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.49 145.91 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.466 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 40.1 mttm -75.4 62.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.8 m -80.43 -48.47 12.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.86 168.21 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.115 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.75 -29.32 63.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.66 153.61 28.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.161 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.5 tp -73.89 128.01 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.948 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -131.96 99.14 0.39 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.496 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 21.3 pt -150.66 147.22 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.833 0.349 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.13 146.07 49.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.437 HG22 ' C ' ' A' ' 35' ' ' ARG . 1.1 pt -143.83 176.09 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.5 pt-20 -159.65 144.6 15.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.97 -146.02 17.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.28 152.45 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.456 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.97 -47.05 16.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.781 0.325 . . . . 0.0 111.147 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -56.53 -45.8 80.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.429 ' O ' ' C ' ' A' ' 30' ' ' ARG . 71.1 p -76.72 155.42 33.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 29' ' ' THR . 11.9 ttm180 -36.16 -51.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tp60 -71.24 116.43 46.88 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.391 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' HA ' ' A' ' 66' ' ' ARG . 2.8 mm? -100.65 150.87 37.35 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.641 0.734 . . . . 0.0 110.906 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.453 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.6 Cg_endo -69.75 136.48 33.11 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.384 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.437 ' C ' HG22 ' A' ' 23' ' ' ILE . 32.7 ttt180 -114.17 130.14 56.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 65.2 mt -65.48 117.72 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.406 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 16.1 m -101.61 -33.78 3.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.9 m -142.34 135.88 29.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 57.4 mt -119.5 101.12 10.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -48.07 145.57 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.42 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 0.2 OUTLIER -70.0 -50.0 45.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.33 47.9 3.7 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -123.75 148.35 16.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 75.1 p -52.44 -25.72 10.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.59 -58.25 4.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.42 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 13.4 t-160 -48.17 -63.82 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' HIS . 71.8 m-80 -36.65 -50.36 0.81 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.4 t -57.71 -51.2 70.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.62 -29.61 3.27 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -46.78 -28.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.629 ' HG ' HG11 ' A' ' 10' ' ' VAL . 9.3 mt -94.52 168.92 10.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 43.7 mttp -148.76 161.08 42.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 69.9 t -73.89 108.63 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.102 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.45 -4.07 4.4 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.531 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -71.12 170.22 13.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.83 0.348 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.547 HG12 HD23 ' A' ' 58' ' ' LEU . 79.7 t -131.63 110.1 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG22 HD12 ' A' ' 65' ' ' LEU . 28.3 mt -72.96 109.9 5.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.584 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.1 mt -96.79 -28.09 14.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.516 ' HB3' HD23 ' A' ' 92' ' ' LEU . 21.7 tt0 -144.01 140.08 29.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.463 ' CG2' HG21 ' A' ' 57' ' ' ILE . 73.0 t -132.96 124.89 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.43 ' ND2' ' HB1' ' A' ' 80' ' ' ALA . 2.6 m120 49.44 31.78 4.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.04 -32.29 7.03 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.514 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 63' ' ' LEU . 2.7 mm? -64.95 152.43 43.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.926 0.393 . . . . 0.0 110.879 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -102.89 146.91 27.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.529 ' HB2' HD12 ' A' ' 33' ' ' LEU . 79.4 mt -115.7 4.79 14.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.576 ' HA ' HD11 ' A' ' 33' ' ' LEU . 12.6 ptt180 -51.91 -38.66 57.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -120.9 37.72 2.92 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.521 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -121.65 143.93 49.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.691 0.281 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 72' ' ' GLU . 29.4 mt-10 -86.24 145.35 27.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.451 ' C ' ' O ' ' A' ' 69' ' ' GLU . 8.1 t60 -34.28 -43.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.876 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -65.0 -47.16 78.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.6 tp10 -57.9 -43.97 86.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.49 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -60.62 -49.72 76.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.37 -37.55 5.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.075 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -73.68 -46.14 48.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 73' ' ' ALA . 61.0 mt -53.84 -49.41 58.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.8 mt -61.37 -54.91 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.096 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.33 -47.8 46.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.112 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -56.49 -29.61 61.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.43 ' HB1' ' ND2' ' A' ' 61' ' ' ASN . . . -72.25 -24.45 61.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -84.9 -46.53 11.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -52.4 -53.97 38.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.9 t -42.5 142.25 0.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -100.97 -14.03 18.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -57.38 -56.37 22.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.524 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 11.6 ttm180 -92.7 158.67 15.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -118.96 23.8 11.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.524 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 5.7 p90 -162.62 166.62 24.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.911 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.458 ' CG2' ' CZ ' ' A' ' 91' ' ' PHE . 35.8 mt -125.86 116.5 46.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.443 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 1.1 t0 -67.83 127.35 32.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.458 ' CZ ' ' CG2' ' A' ' 89' ' ' ILE . 65.8 m-85 -128.38 102.48 6.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.516 HD23 ' HB3' ' A' ' 59' ' ' GLU . 9.8 tp -88.21 112.57 22.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 28.9 m -119.33 163.53 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.156 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.584 ' CG2' HD11 ' A' ' 58' ' ' LEU . 6.1 t -151.47 106.74 3.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -61.15 83.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -56.71 140.0 48.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -49.68 -55.6 13.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.4 t -58.99 145.81 40.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 130.75 -78.55 0.38 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -49.7 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 98.2 p -43.6 128.72 5.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 33.1 t -79.78 127.08 31.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.487 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -156.68 142.22 17.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.355 . . . . 0.0 110.868 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.1 m -141.31 138.45 33.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.88 46.22 2.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.519 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 p -90.22 154.78 19.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.895 0.378 . . . . 0.0 110.872 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.6 m -151.38 134.52 15.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.545 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 150.01 126.36 1.41 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.488 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 97.6 m -107.52 104.26 13.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 111.161 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -67.83 115.56 7.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.671 HG11 ' HG ' ' A' ' 51' ' ' LEU . 55.7 t -110.21 105.8 19.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.12 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.2 ttp-105 -79.19 104.6 9.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.451 HG12 ' OG ' ' A' ' 44' ' ' SER . 89.1 t -98.94 104.74 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.474 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -76.26 140.06 41.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 70.5 mttt -67.27 86.52 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.0 m -97.03 -50.57 4.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.67 168.76 10.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.94 -37.59 74.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.464 ' HA ' ' CE2' ' A' ' 81' ' ' PHE . 9.5 t -161.7 140.62 9.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.65 HD22 HD12 ' A' ' 89' ' ' ILE . 34.2 tp -54.23 153.27 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.69 89.0 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.507 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.768 ' H ' HD13 ' A' ' 21' ' ' ILE . 0.1 OUTLIER -135.66 136.28 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.896 0.379 . . . . 0.0 111.112 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -107.16 150.78 26.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.069 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.566 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -145.63 177.54 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -152.16 -177.19 6.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.616 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 81.09 -143.19 23.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.46 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 121.42 152.63 8.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.503 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -34.29 -48.47 0.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p-10 -42.8 -56.77 3.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.616 HG21 ' HA2' ' A' ' 25' ' ' GLY . 14.7 t -82.71 170.44 15.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.0 mmt-85 -47.21 -34.84 6.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.524 ' H ' HG23 ' A' ' 29' ' ' THR . 36.3 tp60 -78.7 112.87 30.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.548 0.69 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -50.85 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.646 2.231 . . . . 0.0 112.392 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.6 mm? -95.88 152.34 38.95 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.923 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' O ' HG13 ' A' ' 56' ' ' VAL . 54.1 Cg_endo -69.74 143.27 50.43 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.672 2.248 . . . . 0.0 112.376 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.446 ' C ' HG22 ' A' ' 23' ' ' ILE . 61.0 ttt-85 -118.67 129.62 55.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.634 HD12 ' HB2' ' A' ' 55' ' ' HIS . 59.1 mt -62.77 125.39 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 m -113.26 -31.93 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.553 HG22 HE21 ' A' ' 40' ' ' GLN . 51.5 m -144.83 137.06 26.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.151 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.519 HG13 HG22 ' A' ' 53' ' ' VAL . 47.4 mt -118.24 97.92 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.678 ' NE2' ' H ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -57.54 120.95 9.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.5 ttt180 -53.92 -36.01 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.32 48.62 2.85 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.529 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.41 160.37 28.27 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.451 ' OG ' HG12 ' A' ' 12' ' ' VAL . 4.4 p -65.57 -14.23 60.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.869 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.85 -46.76 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.087 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.518 ' HB2' HG22 ' A' ' 39' ' ' ILE . 6.4 t-160 -85.69 28.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -116.69 -30.14 5.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.3 t -80.62 -57.13 3.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.51 -27.69 17.13 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -57.47 -26.42 61.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 110.919 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.671 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.6 mt -90.61 161.78 15.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.409 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 34.8 mmtt -143.69 168.53 19.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.519 HG22 HG13 ' A' ' 39' ' ' ILE . 83.3 t -82.65 110.46 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.94 -12.1 4.78 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.634 ' HB2' HD12 ' A' ' 36' ' ' ILE . 24.2 m170 -59.79 175.02 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 HD23 ' A' ' 58' ' ' LEU . 93.5 t -135.57 109.17 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' HD12 ' A' ' 65' ' ' LEU . 21.0 mt -72.02 110.67 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.492 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.3 mt -96.17 -28.41 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -145.81 147.33 31.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 77' ' ' ILE . 94.2 t -134.49 109.08 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 59.93 33.13 21.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.47 -33.54 6.12 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.508 HD22 HG23 ' A' ' 76' ' ' ILE . 6.0 mp -65.36 135.99 55.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -89.58 130.71 35.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.55 ' HB2' HD12 ' A' ' 33' ' ' LEU . 73.6 mt -93.19 8.47 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.9 mtt-85 -62.05 129.0 38.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 67.97 19.1 71.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.456 ' HD2' ' CG ' ' A' ' 72' ' ' GLU . 36.1 mmtt -106.45 135.73 47.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.706 0.289 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.26 148.49 45.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.566 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.0 t60 -42.62 -45.0 4.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -36.6 84.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' CG ' ' HD2' ' A' ' 68' ' ' LYS . 3.7 tp10 -62.44 -44.61 95.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.55 -37.28 87.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.72 -33.39 64.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -80.41 -38.54 30.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.508 HG23 HD22 ' A' ' 63' ' ' LEU . 71.1 mt -64.43 -45.51 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.578 ' HA ' HG11 ' A' ' 60' ' ' VAL . 19.9 mt -61.46 -49.47 84.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.104 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.53 -45.26 77.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.3 -30.0 61.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.86 -24.3 62.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.464 ' CE2' ' HA ' ' A' ' 18' ' ' THR . 7.9 t80 -86.79 -41.58 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -55.49 -57.15 13.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 t -40.6 143.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.174 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -93.76 -37.78 11.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -43.98 -64.16 0.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.438 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.5 ttt180 -82.06 126.47 32.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -99.04 25.82 6.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -163.67 166.05 22.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.65 HD12 HD22 ' A' ' 19' ' ' LEU . 66.3 mt -125.82 109.25 21.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.125 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 74.0 m-20 -66.74 108.88 2.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -105.28 103.17 12.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.545 HD11 ' HA3' ' A' ' 7' ' ' GLY . 9.9 tp -87.4 107.48 18.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.451 ' CG1' ' HB3' ' A' ' 55' ' ' HIS . 25.2 m -114.6 159.75 14.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 94' ' ' THR . 7.3 t -145.41 105.84 4.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.17 81.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -55.3 -44.12 75.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -154.33 124.68 6.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.3 t -61.97 -66.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 59.08 -161.67 13.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.489 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.67 112.21 3.0 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.719 2.28 . . . . 0.0 112.391 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 62.0 p -64.99 -46.29 82.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.6 t -65.54 -49.45 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.869 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m -43.83 103.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 0.0 110.904 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -43.49 150.57 0.21 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.84 -161.16 28.51 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.466 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.9 p -43.78 162.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.841 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -156.03 168.88 25.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.14 132.35 0.67 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.8 m -110.9 104.46 13.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.802 0.334 . . . . 0.0 111.174 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.473 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.9 OUTLIER -66.38 116.61 7.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.645 HG11 ' HG ' ' A' ' 51' ' ' LEU . 55.7 t -110.11 104.05 16.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 22.9 ttm105 -80.92 112.97 18.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.867 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.0 t -105.25 105.0 17.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' A' ' 15' ' ' SER . 0.1 OUTLIER -70.99 130.9 42.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 179.874 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 43.2 mttm -60.86 75.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.489 ' N ' ' O ' ' A' ' 13' ' ' LYS . 9.6 t -93.74 -42.54 9.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.78 172.59 5.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.109 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.88 -41.29 23.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.082 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.1 p -145.75 127.24 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.6 tp -54.46 137.11 43.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.87 87.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 29.2 pt -141.36 144.11 26.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.62 145.42 48.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.098 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.575 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.1 pt -140.51 176.21 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HG2' HG13 ' A' ' 37' ' ' VAL . 17.1 pt-20 -153.34 -176.2 5.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.701 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 87.35 -146.81 20.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.476 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.11 155.2 8.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -42.08 -29.71 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.751 0.31 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -62.31 -57.12 12.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.701 HG21 ' HA2' ' A' ' 25' ' ' GLY . 10.6 t -77.47 162.49 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.421 ' NH1' ' OE1' ' A' ' 31' ' ' GLN . 1.1 tmt_? -44.26 -22.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.526 ' H ' HG23 ' A' ' 29' ' ' THR . 28.6 tp60 -88.89 110.95 41.52 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.575 0.702 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -49.61 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.673 2.249 . . . . 0.0 112.328 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.7 mm? -97.44 154.59 37.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.576 0.703 . . . . 0.0 110.927 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.7 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.1 Cg_endo -69.76 145.28 56.65 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.338 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.442 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt180 -121.94 131.5 54.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.865 HD12 ' HB2' ' A' ' 55' ' ' HIS . 73.2 mt -64.97 117.5 5.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.489 HG13 ' HG2' ' A' ' 24' ' ' GLU . 14.9 m -103.22 -34.78 3.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 84.6 m -142.52 135.4 28.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.433 HG22 ' HB2' ' A' ' 46' ' ' HIS . 88.7 mt -120.88 100.58 9.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -53.52 135.3 40.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -63.11 -46.4 87.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.46 56.74 5.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.49 155.91 23.8 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 54.3 p -55.85 -35.45 66.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.34 -66.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.433 ' HB2' HG22 ' A' ' 39' ' ' ILE . 2.5 t-160 -54.29 -47.61 72.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -39.59 -45.34 1.61 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.5 t -69.15 -45.11 70.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.37 -25.83 6.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.515 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -45.24 -44.76 11.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.848 0.356 . . . . 0.0 110.932 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.645 ' HG ' HG11 ' A' ' 10' ' ' VAL . 8.7 mt -81.1 174.84 11.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -149.61 167.95 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 71.8 t -78.2 120.49 29.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 121.57 -6.99 10.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.865 ' HB2' HD12 ' A' ' 36' ' ' ILE . 11.2 m170 -65.21 175.15 1.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.419 HG12 HD23 ' A' ' 58' ' ' LEU . 82.8 t -138.04 107.56 4.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 60' ' ' VAL . 13.2 mt -72.47 111.31 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.174 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 56' ' ' VAL . 1.4 mt -96.76 -26.31 15.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -147.13 148.29 31.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.579 HG11 ' HA ' ' A' ' 77' ' ' ILE . 73.9 t -142.92 114.03 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 62.16 31.74 17.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.85 -30.67 7.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mp -78.43 117.93 20.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.57 139.1 39.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.7 HD13 ' HG3' ' A' ' 34' ' ' PRO . 49.9 mt -90.25 15.72 9.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -60.51 135.46 57.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 59.69 24.65 60.14 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -111.64 151.52 28.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 72' ' ' GLU . 10.7 mt-10 -90.73 144.02 26.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.575 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.3 t60 -38.29 -45.27 0.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 72' ' ' GLU . 0.7 OUTLIER -62.29 -38.7 90.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 69' ' ' GLU . 2.9 tp10 -66.69 -37.67 85.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.478 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -67.59 -47.76 68.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.02 -33.85 5.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.053 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.1 ttt180 -77.94 -43.39 30.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.9 mt -58.57 -47.99 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.174 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.579 ' HA ' HG11 ' A' ' 60' ' ' VAL . 46.2 mt -61.34 -52.78 57.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.1 -44.82 64.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.075 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.8 -31.29 66.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.79 -25.37 61.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -85.64 -40.33 16.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -56.86 -58.27 8.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.9 t -40.99 145.68 0.2 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.169 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -99.75 -25.18 14.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -43.57 -63.67 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.573 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -90.48 144.59 25.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.57 32.25 4.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.573 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 24.4 p90 -170.36 167.3 8.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.419 HG13 ' NZ ' ' A' ' 14' ' ' LYS . 88.3 mt -132.38 114.42 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -73.91 110.84 8.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -103.01 104.23 14.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 10.9 tp -83.49 102.57 12.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 29.5 m -111.45 164.62 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.093 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.632 HG23 ' O ' ' A' ' 94' ' ' THR . 10.5 t -153.03 108.56 3.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -64.31 89.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.504 ' CZ ' HG21 ' A' ' 94' ' ' THR . 18.7 m-85 -71.75 97.56 1.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -39.68 121.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -97.61 99.0 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -86.24 -160.93 34.79 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.439 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 147.67 63.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.389 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 102' ' ' SER . 11.9 t -85.93 -64.56 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.837 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 101' ' ' SER . 3.7 m -35.88 128.59 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p 42.97 41.46 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.857 0.361 . . . . 0.0 110.874 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -93.97 116.0 28.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.832 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.72 49.88 0.93 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.7 p -116.91 172.71 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.8 p -79.86 97.63 6.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.37 161.28 29.43 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -136.54 105.96 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.519 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -62.96 122.19 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.975 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.407 HG11 ' HG ' ' A' ' 51' ' ' LEU . 47.9 t -117.23 100.98 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 23.0 ttm105 -75.82 118.0 18.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t -114.04 108.18 24.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.139 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 6.3 tmtt? -66.55 153.07 43.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.596 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 8.2 mmtp -72.67 64.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 47.4 m -74.15 -54.96 6.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.21 155.98 40.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.66 -16.34 54.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.13 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.0 t -152.37 128.64 10.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 tp -66.9 128.94 38.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -129.64 85.99 0.31 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.491 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 22.1 pt -137.71 154.75 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 111.124 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -127.75 145.01 51.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.073 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.519 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -142.76 177.78 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.166 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.416 ' HG2' HG13 ' A' ' 37' ' ' VAL . 12.2 pt-20 -154.95 -178.69 7.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.684 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 81.31 -153.63 33.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.482 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.67 ' O ' HG22 ' A' ' 29' ' ' THR . . . 132.73 162.53 10.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.462 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.14 -21.38 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 111.096 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -87.98 27.81 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.684 HG21 ' HA2' ' A' ' 25' ' ' GLY . 11.1 t -166.72 157.76 12.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 29' ' ' THR . 15.1 ttm180 -36.49 -35.31 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.496 ' H ' HG23 ' A' ' 29' ' ' THR . 26.4 tp60 -89.0 109.99 34.7 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.573 0.701 . . . . 0.0 110.93 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -50.8 0.43 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.665 2.243 . . . . 0.0 112.378 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.64 HD12 ' HA ' ' A' ' 58' ' ' LEU . 3.9 mm? -93.58 151.81 40.38 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.552 0.691 . . . . 0.0 110.923 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.713 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.7 Cg_endo -69.78 141.63 45.65 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.682 2.255 . . . . 0.0 112.358 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.8 ttt180 -117.94 129.38 55.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 55' ' ' HIS . 57.6 mt -64.94 114.25 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.162 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.416 HG13 ' HG2' ' A' ' 24' ' ' GLU . 7.0 m -98.62 -32.29 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 94.5 m -146.14 139.81 26.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.556 HG22 ' HB2' ' A' ' 46' ' ' HIS . 94.6 mt -125.6 97.74 4.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -52.93 156.53 2.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -75.13 -43.96 49.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.22 46.7 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -126.25 150.56 17.7 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.52 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 37.9 p -57.37 -44.66 84.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -53.67 -66.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.556 ' HB2' HG22 ' A' ' 39' ' ' ILE . 4.3 t-160 -48.11 -56.72 7.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 46' ' ' HIS . 4.8 m-20 -35.19 -47.54 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 24.0 t -57.76 -49.22 77.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 46' ' ' HIS . . . 85.99 -11.44 62.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -74.24 -15.11 61.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.855 0.36 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' HG ' HG11 ' A' ' 10' ' ' VAL . 10.4 mt -104.57 165.15 11.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.17 163.17 33.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.9 t -74.88 112.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.36 -7.38 5.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.506 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.501 ' HB2' HD12 ' A' ' 36' ' ' ILE . 19.4 m170 -67.28 172.75 4.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.845 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG12 HD23 ' A' ' 58' ' ' LEU . 84.7 t -134.3 109.83 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.155 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.537 HG22 HD12 ' A' ' 65' ' ' LEU . 23.0 mt -73.66 110.66 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.64 ' HA ' HD12 ' A' ' 33' ' ' LEU . 1.3 mt -97.69 -25.42 15.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -148.2 148.84 30.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 91.4 t -141.45 111.12 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.56 ' OD1' HG23 ' A' ' 89' ' ' ILE . 2.7 m120 60.75 31.16 20.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 99.98 -35.08 5.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.459 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.1 mp -73.34 115.96 13.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.928 0.394 . . . . 0.0 110.95 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 t -77.91 132.2 37.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.713 HD13 ' HG3' ' A' ' 34' ' ' PRO . 97.1 mt -83.97 -2.97 57.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.438 ' O ' ' CG ' ' A' ' 66' ' ' ARG . 13.9 ptt180 -52.43 122.61 9.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.03 16.19 77.31 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.2 mmtt -112.41 142.81 44.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -76.83 150.35 36.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.519 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.8 t60 -42.61 -50.0 5.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 5.3 ptt180 -59.75 -37.17 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 6.4 tt0 -64.15 -40.7 96.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -69.14 -41.54 77.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.24 -34.65 33.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.0 ttt180 -78.29 -45.95 21.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.0 mt -54.72 -45.45 73.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 32.7 mt -64.11 -50.55 76.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.153 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.87 -46.19 67.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.135 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -56.28 -28.77 59.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.24 -19.83 56.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.596 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 3.7 t80 -93.12 -37.26 12.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 83' ' ' THR . 7.5 mtmp? -63.72 -65.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.909 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 82' ' ' LYS . 5.3 t -35.8 152.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.184 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.42 -29.24 11.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -40.33 -61.72 0.86 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' HB2' ' NH1' ' A' ' 86' ' ' ARG . 16.6 ttm105 -93.26 136.09 33.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -104.53 40.3 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.456 ' CA ' ' HE3' ' A' ' 14' ' ' LYS . 54.1 p90 -174.98 172.66 2.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.56 HG23 ' OD1' ' A' ' 61' ' ' ASN . 11.8 mt -139.91 121.27 15.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.519 ' HB3' HD11 ' A' ' 9' ' ' LEU . 75.1 m-20 -83.52 110.85 18.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -103.15 106.7 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 8.8 tp -85.36 109.44 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.0 m -117.86 159.86 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.746 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 5.2 t -123.34 -18.25 6.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 97' ' ' ASN . 7.3 tt0 54.08 48.87 20.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.746 ' CZ ' HG21 ' A' ' 94' ' ' THR . 16.9 m-85 -44.88 93.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' GLU . 3.7 m-80 34.55 44.34 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 97' ' ' ASN . 30.4 t -38.07 134.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 179.5 159.39 23.41 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 108.43 2.07 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.68 2.253 . . . . 0.0 112.383 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.4 p -133.37 158.1 43.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.2 t -133.48 -44.94 0.82 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.798 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.521 -179.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 p -51.59 -44.26 62.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.887 0.375 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.4 p -130.06 128.7 42.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.865 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.49 122.15 6.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 t -107.68 136.47 47.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.1 p -80.16 104.12 10.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.811 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.68 168.18 14.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.471 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.4 m -140.24 116.18 10.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 111.125 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.633 HD21 ' HB3' ' A' ' 90' ' ' ASP . 1.2 tm? -75.88 125.87 29.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.526 HG11 ' HG ' ' A' ' 51' ' ' LEU . 64.7 t -124.46 104.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -75.72 118.89 19.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.3 t -107.29 111.94 37.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -77.1 145.5 37.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HG2' ' CE1' ' A' ' 81' ' ' PHE . 30.8 mttt -75.1 58.87 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 43.3 t -69.3 -38.65 78.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -87.13 160.0 18.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.5 -38.92 91.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 77.7 p -142.93 132.68 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.6 HD22 HD12 ' A' ' 89' ' ' ILE . 26.9 tp -67.07 113.28 4.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.43 104.77 2.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 77' ' ' ILE . 32.8 pt -150.72 147.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 144.57 50.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.411 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.64 177.35 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.12 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.758 ' OE1' HG11 ' A' ' 37' ' ' VAL . 19.2 pt-20 -158.62 152.6 23.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.734 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 119.35 -149.31 18.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.515 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 132.01 149.03 6.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -39.6 -32.62 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.148 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -61.6 -53.85 50.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.734 HG21 ' HA2' ' A' ' 25' ' ' GLY . 13.8 t -77.83 166.03 23.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -46.05 -34.93 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.471 ' H ' HG23 ' A' ' 29' ' ' THR . 23.7 tp60 -79.87 116.42 60.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.642 0.734 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.4 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.76 -49.95 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.647 2.231 . . . . 0.0 112.363 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.5 mm? -102.24 156.05 35.72 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.611 0.72 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.725 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.75 141.06 44.25 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.632 2.222 . . . . 0.0 112.358 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -117.96 129.91 55.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.809 HD12 ' HB2' ' A' ' 55' ' ' HIS . 75.2 mt -63.77 118.69 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.758 HG11 ' OE1' ' A' ' 24' ' ' GLU . 7.3 m -104.07 -31.97 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 93.6 m -147.82 133.18 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 89.6 mt -117.71 102.33 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -47.62 122.48 4.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.427 ' HA ' ' ND1' ' A' ' 46' ' ' HIS . 7.4 mpt_? -54.47 -43.65 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -81.94 33.75 2.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -120.4 149.96 17.53 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 74.3 m -44.11 -56.02 4.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.87 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -37.95 -47.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.427 ' ND1' ' HA ' ' A' ' 41' ' ' ARG . 15.0 t-160 -69.21 -50.58 46.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 46.4 m-20 -57.08 -63.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 18.0 p -52.23 -43.51 64.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 86.67 -137.51 14.92 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.484 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 45.28 26.13 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 0.0 110.956 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.526 ' HG ' HG11 ' A' ' 10' ' ' VAL . 31.7 mt -151.4 163.35 39.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -149.36 162.64 39.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.5 t -75.79 111.19 11.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.24 -3.15 4.77 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.809 ' HB2' HD12 ' A' ' 36' ' ' ILE . 18.5 m170 -69.12 174.94 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.795 0.331 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.433 HG12 HD23 ' A' ' 58' ' ' LEU . 85.8 t -134.74 109.05 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.135 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.485 ' O ' HD12 ' A' ' 65' ' ' LEU . 9.8 mt -73.22 110.65 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.109 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.479 ' HB2' ' CD2' ' A' ' 92' ' ' LEU . 1.0 OUTLIER -97.66 -24.69 15.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -149.5 149.51 30.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 99.1 t -141.95 112.98 3.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.166 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.1 m120 59.72 31.65 20.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.1 -33.94 5.6 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.2 mp -74.8 116.25 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 2.7 t -75.89 150.08 37.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.734 ' HB2' HD12 ' A' ' 33' ' ' LEU . 84.1 mt -101.67 2.24 38.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.629 ' HD2' HD11 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -57.51 127.54 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.864 179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.98 19.82 79.75 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.493 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 31.9 mmtt -116.25 146.37 42.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.698 0.285 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -82.28 144.74 30.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.411 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 1.7 t60 -38.16 -46.75 1.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -57.35 -49.61 75.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -55.32 -35.6 65.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.63 -48.86 65.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.02 -38.96 8.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.0 ttt-85 -74.3 -40.59 62.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.831 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 69.9 mt -61.97 -47.0 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.424 HG21 HD11 ' A' ' 21' ' ' ILE . 23.4 mt -62.29 -53.53 46.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -51.09 -48.66 61.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.102 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.72 -27.98 53.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.886 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -20.46 59.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CE1' ' HG2' ' A' ' 14' ' ' LYS . 3.9 t80 -91.63 -42.01 10.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 83' ' ' THR . 77.0 mttt -64.0 -49.02 74.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.7 t -35.83 136.84 0.24 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -96.0 19.88 10.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -100.49 -64.01 1.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 20.3 ttm-85 -89.7 121.81 32.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -84.48 30.02 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.569 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 4.7 p90 -167.16 178.35 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.6 HD12 HD22 ' A' ' 19' ' ' LEU . 30.8 mt -135.76 111.17 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.633 ' HB3' HD21 ' A' ' 9' ' ' LEU . 31.5 m-20 -72.68 103.84 3.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -97.6 105.26 17.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.479 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 5.8 tp -83.83 109.48 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.4 m -117.43 159.66 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.9 t -121.02 -13.11 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.574 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 4.1 mt-10 53.24 53.06 12.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -47.75 168.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -72.9 143.61 47.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 t -50.9 159.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -135.09 82.87 0.29 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -7.02 20.0 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.256 . . . . 0.0 112.347 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.3 t -50.63 -57.9 7.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.838 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 70.0 m -81.98 139.28 34.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -42.4 129.91 3.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.3 p -129.44 123.82 32.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.06 -58.58 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.453 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -106.37 135.57 47.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.869 0.366 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -151.15 122.95 8.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.452 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 155.86 142.6 3.46 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.497 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.3 m -112.98 107.33 15.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 111.128 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.548 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -74.71 122.42 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.591 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.3 t -116.42 105.65 18.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' CZ ' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -81.45 113.01 19.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 79.5 t -104.36 117.05 49.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -81.94 145.7 30.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HD3' ' CD1' ' A' ' 81' ' ' PHE . 7.1 mttp -73.99 62.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.7 p -70.85 -15.56 62.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -110.11 -177.95 3.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.075 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -96.66 -19.81 18.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.0 p -148.2 128.92 14.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.15 142.97 55.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 40' ' ' GLN . . . -131.95 100.36 0.43 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.461 HD11 HG21 ' A' ' 77' ' ' ILE . 32.8 pt -154.75 151.19 11.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 0.0 111.159 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -133.26 141.61 48.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.437 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.9 OUTLIER -138.79 176.74 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.115 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -153.77 172.16 17.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.827 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.501 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 102.02 -147.76 17.47 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.516 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.418 ' O ' HG22 ' A' ' 29' ' ' THR . . . 140.83 143.65 4.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.517 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.99 -30.23 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.2 t30 -66.72 -67.58 0.44 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.641 HG23 ' H ' ' A' ' 31' ' ' GLN . 12.9 t -54.17 -176.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.7 tpp180 -61.81 -34.0 75.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.641 ' H ' HG23 ' A' ' 29' ' ' THR . 30.7 tp60 -82.99 116.43 64.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.595 0.712 . . . . 0.0 110.906 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.46 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.5 Cg_endo -69.77 -49.49 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 0.0 112.373 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 66' ' ' ARG . 3.1 mm? -103.25 155.27 36.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.625 0.726 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.8 140.7 43.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.664 2.243 . . . . 0.0 112.345 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' HG22 ' A' ' 23' ' ' ILE . 78.3 ttt180 -117.67 130.28 56.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 55' ' ' HIS . 56.4 mt -64.41 114.13 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 m -101.61 -30.09 3.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.3 m -150.21 138.87 20.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.5 mt -115.58 96.35 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.447 ' HB2' ' CA ' ' A' ' 20' ' ' GLY . 30.4 mm-40 -51.99 150.85 3.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 mtp180 -88.34 172.57 9.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.77 -42.66 2.29 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -62.01 172.64 8.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.465 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.0 m -64.91 -46.87 79.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.839 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -42.6 -51.34 5.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -65.24 -59.31 4.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -38.83 -46.16 1.25 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 m -84.88 110.39 18.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -80.74 54.35 4.64 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.457 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -114.64 -29.58 6.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.876 0.37 . . . . 0.0 110.902 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.591 ' HG ' HG11 ' A' ' 10' ' ' VAL . 7.8 mt -92.45 173.59 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.4 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.1 mmtp -151.91 152.77 32.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 72.6 t -69.92 123.4 23.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.89 -11.08 10.14 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.468 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.636 ' HB2' HD12 ' A' ' 36' ' ' ILE . 25.1 m170 -62.99 173.74 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.821 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.465 HG12 HD23 ' A' ' 58' ' ' LEU . 84.6 t -136.25 106.74 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 23.8 mt -71.11 110.49 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.465 HD23 HG12 ' A' ' 56' ' ' VAL . 1.4 mt -95.41 -33.69 12.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -139.91 139.11 36.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.7 t -128.12 110.46 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.784 ' OD1' HG23 ' A' ' 89' ' ' ILE . 12.2 m120 59.47 32.77 21.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 98.37 -30.26 9.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.459 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mp -66.72 132.22 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.862 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -88.7 127.42 35.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.14 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.528 HD13 ' HG3' ' A' ' 34' ' ' PRO . 51.8 mt -93.77 -5.14 48.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.603 ' HA ' HD11 ' A' ' 33' ' ' LEU . 2.1 ttt180 -37.69 -54.14 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -108.33 39.9 2.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -121.86 139.52 53.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.724 0.297 . . . . 0.0 110.89 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' HIS . 28.2 mt-10 -81.71 144.68 30.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 9.8 t60 -36.0 -41.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -51.12 65.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -55.89 -40.29 72.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.81 -52.86 58.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -43.54 -39.41 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.1 ttt85 -72.7 -47.18 49.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.8 mt -52.75 -51.17 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.128 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.461 HG21 HD11 ' A' ' 21' ' ' ILE . 44.8 mt -57.74 -50.84 76.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -52.58 -46.44 66.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -55.76 -34.81 65.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.512 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -69.39 -17.82 63.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.574 ' CD1' ' HD3' ' A' ' 14' ' ' LYS . 4.5 t80 -91.97 -39.32 11.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.4 mttm -61.96 -61.51 2.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.2 t -42.46 153.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 85' ' ' ASP . 1.8 mptp? -104.61 -27.93 11.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 84' ' ' LYS . 15.0 m-20 -36.34 -56.8 0.77 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' HD2' ' ND2' ' A' ' 61' ' ' ASN . 1.0 OUTLIER -110.14 125.8 53.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.837 -179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.413 ' HA ' ' NZ ' ' A' ' 14' ' ' LYS . 1.2 p-10 -88.42 41.92 1.04 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -169.66 -179.63 3.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.784 HG23 ' OD1' ' A' ' 61' ' ' ASN . 56.2 mt -145.59 116.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.159 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -68.52 125.13 25.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -122.45 102.97 8.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.452 HD11 ' HA3' ' A' ' 7' ' ' GLY . 20.3 tp -87.8 108.32 19.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.5 m -117.88 158.01 18.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 94' ' ' THR . 7.0 t -146.47 109.46 4.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.4 88.55 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -65.41 138.94 58.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -77.46 82.06 3.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.6 t -162.96 153.17 16.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 164.33 -157.96 30.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.444 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 121.46 8.17 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.686 2.257 . . . . 0.0 112.344 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 26.3 m -122.45 111.29 16.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 91.9 p -121.58 171.11 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.0 m -147.67 119.7 8.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.7 t -104.01 134.9 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.11 58.69 0.47 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.7 p -111.97 173.22 6.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.879 0.371 . . . . 0.0 110.849 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.6 p -102.23 158.54 16.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.43 155.0 10.67 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.522 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 93' ' ' VAL . 52.4 m -133.35 107.44 8.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.851 0.358 . . . . 0.0 111.104 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.724 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -71.1 125.9 28.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.724 ' N ' HD13 ' A' ' 9' ' ' LEU . 60.3 t -124.08 114.59 41.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -93.22 106.25 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.3 t -94.96 113.32 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' HD2' ' O ' ' A' ' 87' ' ' ASP . 19.7 tptp -75.69 140.61 42.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -72.44 66.2 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -81.77 -46.77 13.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.818 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.3 175.89 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.09 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.05 -40.03 16.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.8 p -139.35 146.59 40.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 tp -69.44 144.8 53.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.867 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -146.87 82.53 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.49 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.485 HD11 HG21 ' A' ' 77' ' ' ILE . 13.5 pt -136.82 136.99 47.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.787 0.327 . . . . 0.0 111.177 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.0 144.98 42.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.531 HG13 ' CE1' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -140.88 177.76 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.086 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 11.9 pt-20 -159.55 146.53 16.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.643 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 124.77 -148.1 16.67 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.715 ' O ' HG22 ' A' ' 29' ' ' THR . . . 131.63 153.67 7.55 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.473 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.56 -39.42 11.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.731 0.301 . . . . 0.0 111.069 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -57.42 -33.85 68.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.715 HG22 ' O ' ' A' ' 26' ' ' GLY . 14.9 t -95.99 171.94 8.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.12 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 76.8 mtt180 -52.69 -33.76 49.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.477 ' H ' HG23 ' A' ' 29' ' ' THR . 17.3 tp60 -85.18 113.82 52.49 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -48.45 0.72 Allowed 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 58' ' ' LEU . 4.1 mm? -99.25 151.8 37.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.729 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.72 141.1 44.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.65 2.234 . . . . 0.0 112.368 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.462 ' C ' HG22 ' A' ' 23' ' ' ILE . 52.2 ttt180 -120.48 129.82 54.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.862 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.521 HD12 ' HB2' ' A' ' 55' ' ' HIS . 64.0 mt -64.96 120.74 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.402 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 12.2 m -104.91 -28.63 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.113 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 39.7 m -153.17 135.68 15.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 74.5 mt -111.3 99.63 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -49.07 163.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -87.92 175.64 7.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 40.69 31.29 0.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.493 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -111.69 150.04 18.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 78.8 p -47.5 -28.11 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.877 0.37 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.83 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -65.57 -54.45 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -43.12 -62.29 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.2 t -52.74 -31.17 36.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 59.72 64.08 4.53 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.461 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -131.23 -32.47 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.834 0.349 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.522 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.3 mm? -95.12 168.98 10.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -147.62 142.87 27.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.2 t -51.97 107.57 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.01 13.77 2.14 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.506 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.521 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.7 m170 -90.96 166.08 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.816 0.341 . . . . 0.0 110.815 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.462 HG12 HD23 ' A' ' 58' ' ' LEU . 89.5 t -131.35 106.72 12.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.457 HG22 HD12 ' A' ' 65' ' ' LEU . 20.2 mt -73.02 108.58 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.567 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.9 OUTLIER -94.48 -25.91 16.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -151.94 148.02 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.455 ' CG2' HG21 ' A' ' 57' ' ' ILE . 80.1 t -144.1 123.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 59.0 30.22 19.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.39 -29.39 9.0 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.492 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.3 116.16 18.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.893 0.378 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 64' ' ' THR . 13.0 t -77.41 128.65 34.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.729 HD13 ' HG3' ' A' ' 34' ' ' PRO . 81.3 mt -80.22 13.07 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.5 mtp85 -58.79 132.31 53.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 60.13 29.46 68.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.435 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 43.8 mmtt -115.87 147.15 41.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.718 0.294 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 72' ' ' GLU . 25.1 mt-10 -83.97 141.41 31.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.531 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.0 OUTLIER -37.79 -43.7 0.68 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -45.14 94.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' GLU . 5.5 tp10 -60.49 -38.94 85.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -65.68 -54.18 30.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.085 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -42.29 -37.63 1.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.077 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -76.03 -44.51 38.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 81.3 mt -57.39 -49.82 78.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.485 HG21 HD11 ' A' ' 21' ' ' ILE . 21.3 mt -58.47 -53.57 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.89 -46.13 60.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.063 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -55.63 -32.19 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.429 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -67.29 -23.15 65.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.447 ' CA ' HD11 ' A' ' 89' ' ' ILE . 2.6 t80 -90.04 -39.03 13.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 30.3 mtmt -54.46 -54.12 45.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 7.2 t -45.45 157.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -111.95 -28.77 7.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -45.32 -62.61 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.558 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 8.3 ttm105 -84.84 135.58 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.4 ' O ' ' HD2' ' A' ' 13' ' ' LYS . 28.7 m-20 -98.36 36.42 1.61 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.558 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 52.4 p90 -175.26 -178.09 1.12 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.447 HD11 ' CA ' ' A' ' 81' ' ' PHE . 92.3 mt -141.18 115.97 5.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.116 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 1.1 t0 -67.63 136.53 54.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.49 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 51.1 m-85 -134.49 102.9 5.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.452 ' HG ' HD12 ' A' ' 58' ' ' LEU . 12.5 tp -86.44 103.32 14.87 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 8' ' ' THR . 34.8 m -113.75 163.13 11.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 94' ' ' THR . 9.9 t -150.2 107.15 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.143 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -64.24 80.41 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -56.36 97.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -104.34 124.41 49.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 70.9 m -137.08 112.6 9.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.56 -171.41 44.17 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.474 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -6.08 17.76 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.2 m 45.68 49.51 11.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.885 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.1 m -87.34 96.22 10.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -65.2 146.22 55.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.4 p -153.34 143.06 21.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.31 90.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 t -112.26 149.02 32.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -92.23 130.11 38.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.595 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 160.38 171.83 26.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.455 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.49 ' O ' HG23 ' A' ' 10' ' ' VAL . 61.9 m -137.42 106.15 5.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -60.58 119.89 8.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.95 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.721 HG11 ' HG ' ' A' ' 51' ' ' LEU . 36.5 t -121.76 107.93 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.566 ' HG3' ' CD2' ' A' ' 88' ' ' TYR . 5.1 ttp-105 -85.34 121.0 27.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.77 HG22 ' HA3' ' A' ' 49' ' ' GLY . 79.0 t -112.05 97.98 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -68.48 139.18 55.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 72.6 mttt -64.26 84.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.2 t -105.48 -51.33 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.74 169.31 1.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.116 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.71 -52.31 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.7 p -138.93 120.81 15.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.162 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.685 HD12 ' OG ' ' A' ' 44' ' ' SER . 6.7 tp -41.28 115.07 0.56 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.912 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.0 91.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 15.0 pt -150.72 146.29 16.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 0.0 111.117 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -125.69 151.78 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.525 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -142.56 176.57 3.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' HG2' HG13 ' A' ' 37' ' ' VAL . 21.1 pt-20 -158.56 158.19 33.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.594 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 116.86 -142.29 17.35 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . 123.1 145.58 6.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.453 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -38.13 -27.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.828 0.347 . . . . 0.0 111.119 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' GLY . 10.2 t-20 -60.89 -54.5 44.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.665 HG23 ' H ' ' A' ' 31' ' ' GLN . 14.0 t -80.59 -178.6 6.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -59.63 -27.84 66.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.665 ' H ' HG23 ' A' ' 29' ' ' THR . 33.4 tp60 -86.76 112.95 50.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -48.68 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.67 2.247 . . . . 0.0 112.337 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.4 mm? -97.67 155.64 36.97 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.627 0.727 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.483 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.76 134.07 27.09 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.624 2.216 . . . . 0.0 112.352 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.443 HH21 ' NE2' ' A' ' 31' ' ' GLN . 21.4 ttm180 -114.06 127.09 55.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.667 HD12 ' HB2' ' A' ' 55' ' ' HIS . 68.0 mt -61.43 125.76 18.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.483 HG13 ' HG2' ' A' ' 24' ' ' GLU . 5.1 m -107.95 -33.13 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.066 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.5 m -144.18 133.77 23.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.503 HG22 ' ND1' ' A' ' 46' ' ' HIS . 73.4 mt -121.14 97.83 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.091 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -51.82 134.14 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.0 mmt-85 -60.27 -25.67 65.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.15 33.51 6.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -109.65 143.17 16.54 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.482 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.685 ' OG ' HD12 ' A' ' 19' ' ' LEU . 35.3 p -52.18 -31.61 32.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.852 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.26 69.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.503 ' ND1' HG22 ' A' ' 39' ' ' ILE . 1.8 t-160 -72.48 -53.09 13.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -72.16 -50.92 23.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 21.5 m -101.58 165.69 11.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.77 ' HA3' HG22 ' A' ' 12' ' ' VAL . . . 61.55 126.78 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -73.14 98.06 2.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.829 0.347 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.721 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.3 mt -140.52 168.23 20.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -150.92 162.53 40.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 87.5 t -69.3 109.2 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 130.83 -11.85 5.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.416 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.667 ' HB2' HD12 ' A' ' 36' ' ' ILE . 15.0 m170 -62.22 171.56 1.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.483 HG12 HD23 ' A' ' 58' ' ' LEU . 85.2 t -136.24 112.04 12.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.8 mt -74.88 116.6 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.129 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.483 HD23 HG12 ' A' ' 56' ' ' VAL . 1.8 mt -103.42 -30.49 10.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.52 ' HB3' HD23 ' A' ' 92' ' ' LEU . 18.5 tt0 -143.21 138.25 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.8 t -132.18 122.85 49.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.068 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 51.31 33.17 9.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.82 -29.35 9.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.8 mp -68.26 138.27 55.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -93.75 126.82 39.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.111 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.658 ' HB2' HD12 ' A' ' 33' ' ' LEU . 77.6 mt -88.99 5.83 42.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 47.0 mtt180 -60.33 126.79 28.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.35 78.16 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -114.15 128.75 56.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -66.5 148.19 52.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.525 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.3 t60 -42.06 -45.01 3.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.88 -47.29 85.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.887 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -44.99 91.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.559 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -64.08 -48.07 77.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -48.09 -34.52 9.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -76.09 -42.9 45.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 73' ' ' ALA . 38.9 mt -56.96 -50.46 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 20.1 mt -59.96 -53.58 46.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.117 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.21 -44.06 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.092 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -58.76 -31.62 68.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.65 -16.06 62.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.095 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -95.08 -41.06 9.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 40.9 mttm -57.02 -58.67 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.435 ' O ' ' NZ ' ' A' ' 14' ' ' LYS . 7.3 t -38.82 141.1 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -91.7 -33.9 14.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -46.9 -67.48 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -63.76 153.89 35.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -124.2 13.05 8.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.566 ' CD2' ' HG3' ' A' ' 11' ' ' ARG . 39.0 p90 -157.95 179.32 9.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.2 mt -141.8 114.36 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 91' ' ' PHE . 0.6 OUTLIER -69.8 134.45 48.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.886 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.461 ' N ' ' OD1' ' A' ' 90' ' ' ASP . 61.7 m-85 -134.98 100.96 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.595 HD11 ' HA3' ' A' ' 7' ' ' GLY . 12.2 tp -89.8 103.22 15.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 23.4 m -106.12 163.03 4.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.6 t -124.83 -18.11 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 96' ' ' PHE . 2.3 tm-20 48.89 50.71 17.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 95' ' ' GLU . 20.0 m-85 -35.27 128.33 0.55 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -109.52 163.7 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 44.7 p -173.27 172.44 3.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.893 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -123.33 -81.97 0.55 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 167.48 24.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.293 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.2 t 40.98 41.35 1.22 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.8 p -104.44 128.81 52.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -100.67 147.62 25.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.895 0.379 . . . . 0.0 110.871 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 t -83.58 128.3 34.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.71 90.48 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -62.89 -56.44 17.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.926 0.393 . . . . 0.0 110.845 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 m -57.06 100.88 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.89 171.26 22.79 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.3 m -141.65 115.47 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.846 0.355 . . . . 0.0 111.111 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 90' ' ' ASP . 0.4 OUTLIER -74.09 121.0 20.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.426 HG11 ' HG ' ' A' ' 51' ' ' LEU . 96.6 t -117.29 107.32 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 11' ' ' ARG . 21.1 ttm105 -79.22 115.99 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 71.3 t -108.61 103.17 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.164 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.489 ' HD3' ' N ' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -67.39 136.39 54.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 66.2 mttt -71.68 86.57 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.3 t -86.02 -47.1 9.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.26 -178.15 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.71 -23.01 27.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.8 t -151.99 143.32 23.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD21 ' CD1' ' A' ' 21' ' ' ILE . 6.4 tp -78.85 123.67 27.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.58 97.5 0.76 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.461 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 77' ' ' ILE . 30.0 pt -142.5 151.13 18.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.831 0.348 . . . . 0.0 111.156 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -124.51 143.63 50.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.556 HG13 ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -141.15 177.3 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.728 ' OE1' HG11 ' A' ' 37' ' ' VAL . 21.2 pt-20 -158.04 170.55 22.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 99.54 -140.57 15.05 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ALA . . . 117.17 158.38 11.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' GLY . . . -35.14 -67.99 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.795 0.331 . . . . 0.0 111.073 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -38.54 -48.23 1.39 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.442 ' O ' ' C ' ' A' ' 30' ' ' ARG . 51.1 p -79.23 148.19 32.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 29' ' ' THR . 18.3 ttm180 -34.76 -41.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -80.2 117.07 65.78 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.579 0.704 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 0.0 112.381 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.709 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.8 mm? -95.03 154.22 39.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.92 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.768 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.4 Cg_endo -69.76 137.91 36.58 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.679 2.253 . . . . 0.0 112.32 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' HG22 ' A' ' 23' ' ' ILE . 63.7 ttt-85 -114.64 130.7 56.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.769 HD12 ' HB2' ' A' ' 55' ' ' HIS . 67.6 mt -65.36 120.73 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.728 HG11 ' OE1' ' A' ' 24' ' ' GLU . 10.8 m -107.58 -31.74 2.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.534 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 70.2 m -145.55 140.57 27.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.0 mt -125.39 101.92 9.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -59.01 142.52 50.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 46' ' ' HIS . 16.2 ttm105 -67.81 -35.16 78.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -84.11 41.94 3.03 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -129.73 143.94 15.1 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 98.9 p -52.04 -24.51 6.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.911 0.386 . . . . 0.0 110.862 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.45 -49.15 61.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.093 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.565 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.42 -56.33 23.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -40.05 -40.11 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 8.4 t -66.05 -53.47 38.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 82.91 -34.45 2.79 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.516 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -45.19 -24.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.426 ' HG ' HG11 ' A' ' 10' ' ' VAL . 11.7 mt -98.03 162.71 13.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.5 mtmt -140.32 168.04 20.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 77.0 t -76.9 119.22 24.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 124.44 -5.18 8.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.769 ' HB2' HD12 ' A' ' 36' ' ' ILE . 17.8 m170 -66.69 175.84 2.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.825 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.544 HG12 HD23 ' A' ' 58' ' ' LEU . 99.4 t -137.89 108.92 5.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.409 ' O ' HD12 ' A' ' 65' ' ' LEU . 28.4 mt -74.09 110.58 8.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.544 HD23 HG12 ' A' ' 56' ' ' VAL . 1.2 mt -96.88 -26.1 15.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -146.37 149.94 34.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.431 HG11 ' HA ' ' A' ' 77' ' ' ILE . 92.8 t -141.02 107.09 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 61.91 31.76 18.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 101.0 -35.54 4.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.4 mp -73.1 116.34 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.915 0.388 . . . . 0.0 110.921 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.524 HG23 ' HD2' ' A' ' 66' ' ' ARG . 0.4 OUTLIER -80.49 135.88 36.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.158 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.768 HD13 ' HG3' ' A' ' 34' ' ' PRO . 82.4 mt -88.17 17.95 4.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.934 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.524 ' HD2' HG23 ' A' ' 64' ' ' THR . 0.3 OUTLIER -53.55 132.49 40.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 49.46 42.65 34.77 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.428 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 9.2 mmtp -121.15 134.15 55.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.7 0.286 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' GLU . 18.0 mt-10 -71.21 139.24 50.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.556 ' CE1' HG13 ' A' ' 23' ' ' ILE . 1.4 t60 -35.9 -41.85 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -61.44 -48.06 82.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 69' ' ' GLU . 3.5 tp10 -58.28 -38.45 77.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.57 -45.88 70.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -47.91 -36.22 11.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.089 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ttt-85 -75.73 -42.56 50.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.53 -47.19 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.123 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 21' ' ' ILE . 29.5 mt -63.15 -50.55 78.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.88 -47.2 77.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.078 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -57.21 -27.16 61.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.93 -15.03 59.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -96.43 -40.29 9.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -56.76 -58.69 7.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.2 t -42.06 149.4 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 29.1 mtmt -100.39 -30.8 11.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.61 -59.32 1.66 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 88' ' ' TYR . 10.3 ttm180 -91.84 131.92 36.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.406 ' N ' ' OD1' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -101.57 32.95 3.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.837 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' ' 86' ' ' ARG . 22.8 p90 -169.79 167.94 9.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 12.8 mt -131.27 112.69 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.528 ' HB3' HD11 ' A' ' 9' ' ' LEU . 63.5 m-20 -72.35 115.81 12.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -109.73 108.5 18.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.438 HD23 ' HB2' ' A' ' 58' ' ' LEU . 8.9 tp -89.82 106.85 18.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 32.6 m -115.0 159.35 14.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.518 HG21 ' CE2' ' A' ' 96' ' ' PHE . 2.2 t -116.41 -21.19 9.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.118 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HG2' ' CD2' ' A' ' 55' ' ' HIS . 4.2 mt-10 61.47 45.68 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 94' ' ' THR . 10.6 m-85 -44.3 162.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.14 107.82 20.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.94 -51.99 2.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.791 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 141.64 -96.37 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.442 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -3.14 11.37 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.697 2.265 . . . . 0.0 112.315 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 66.7 m -109.09 170.0 8.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 75.1 p -127.28 128.48 46.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.82 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.462 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.446 -0.261 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -159.34 107.9 1.83 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.904 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.7 m -110.18 -50.55 2.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.831 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.1 163.29 26.65 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 m -107.73 128.45 54.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.872 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -142.37 131.45 23.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.05 141.07 8.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.489 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 79.0 m -120.82 119.14 31.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 111.138 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.554 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.3 OUTLIER -86.37 118.81 26.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.896 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.554 ' N ' HD13 ' A' ' 9' ' ' LEU . 39.9 t -115.57 115.76 50.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -85.84 98.14 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.5 t -96.5 108.46 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -69.19 152.48 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.57 ' CD ' ' CD1' ' A' ' 81' ' ' PHE . 7.5 mtmp? -91.06 83.6 5.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 t -97.49 -53.0 3.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -53.59 155.43 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.077 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.88 -32.63 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.8 t -156.19 153.3 29.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.9 tp -70.22 136.15 49.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -137.48 96.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.595 HD11 HG21 ' A' ' 77' ' ' ILE . 30.0 pt -144.81 147.55 18.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -120.89 139.31 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -139.69 177.52 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -161.38 153.66 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.92 -151.89 18.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.544 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 29' ' ' THR . . . 130.76 153.46 7.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.44 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -36.9 -55.95 0.88 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.83 0.348 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -47.45 -40.34 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.436 ' N ' ' O ' ' A' ' 26' ' ' GLY . 71.9 p -89.01 154.36 20.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' THR . 48.2 ttt-85 -38.22 -40.72 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -79.96 116.45 61.3 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.584 0.707 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.412 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.1 Cg_endo -69.77 -48.19 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.314 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.654 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.0 mm? -101.61 153.07 38.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.744 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.5 Cg_endo -69.78 138.57 38.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.705 2.27 . . . . 0.0 112.338 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' C ' HG22 ' A' ' 23' ' ' ILE . 57.6 ttt180 -115.47 129.56 56.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.436 HD12 ' HB2' ' A' ' 55' ' ' HIS . 53.7 mt -65.88 110.16 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.33 -31.77 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.16 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.2 m -149.75 139.01 21.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -116.34 106.8 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -55.26 157.44 3.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 9.1 tpp180 -74.45 -59.74 2.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.36 48.86 2.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.492 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 46' ' ' HIS . . . -127.02 138.32 10.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.48 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 19.8 p -41.41 -38.69 1.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.99 92.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.444 ' ND1' ' O ' ' A' ' 41' ' ' ARG . 12.0 t-160 -56.44 -61.28 2.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.813 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -38.05 -42.91 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 13.8 m -93.09 92.24 7.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -60.64 -15.05 38.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.505 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -44.95 -30.49 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 110.918 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.407 ' C ' ' HG2' ' A' ' 52' ' ' LYS . 14.8 mt -86.48 171.47 11.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 51' ' ' LEU . 12.3 mmtp -147.11 157.58 43.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.06 102.2 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.66 -0.45 3.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.502 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.436 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.9 m170 -66.79 175.12 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.859 0.361 . . . . 0.0 110.832 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.5 t -135.09 106.94 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.582 ' O ' HD12 ' A' ' 65' ' ' LEU . 14.6 mt -72.15 109.77 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.174 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.636 HD11 ' CG2' ' A' ' 94' ' ' THR . 1.1 mt -95.97 -26.17 15.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -147.71 151.25 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 94.1 t -145.17 116.03 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 57.36 31.75 20.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 96.52 -31.55 7.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.483 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.9 117.07 18.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.899 0.38 . . . . 0.0 110.955 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.24 146.85 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.744 HD13 ' HG3' ' A' ' 34' ' ' PRO . 85.5 mt -97.05 0.31 48.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.402 ' HG3' HD21 ' A' ' 33' ' ' LEU . 1.9 mpt_? -58.88 129.57 42.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 82.78 -8.44 62.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.446 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 34.4 mmtt -92.09 166.15 12.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -105.28 153.27 21.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.465 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 6.8 t60 -43.18 -46.41 5.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' C ' ' HD3' ' A' ' 71' ' ' ARG . 0.8 OUTLIER -60.14 -40.64 90.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 4.7 tp10 -67.58 -36.09 80.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.433 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -65.1 -48.27 74.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.98 -36.68 8.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -74.57 -46.89 35.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 73' ' ' ALA . 55.9 mt -55.16 -48.08 76.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.595 HG21 HD11 ' A' ' 21' ' ' ILE . 63.1 mt -60.08 -50.28 80.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.28 -45.75 72.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -56.06 -28.84 59.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.496 ' HB1' HG12 ' A' ' 89' ' ' ILE . . . -72.44 -18.35 61.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.57 ' CD1' ' CD ' ' A' ' 14' ' ' LYS . 4.9 t80 -90.46 -42.53 10.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 31.6 mttp -61.78 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 5.8 t -38.62 142.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -103.84 29.19 6.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -76.3 -46.85 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.96 150.12 52.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -87.48 28.06 1.02 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.842 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 14.5 p90 -160.17 173.3 15.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.496 HG12 ' HB1' ' A' ' 80' ' ' ALA . 90.0 mt -133.72 112.7 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.11 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.455 ' CG ' HD21 ' A' ' 9' ' ' LEU . 0.9 OUTLIER -64.73 127.77 32.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -123.6 103.37 8.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.473 ' CD2' ' HB2' ' A' ' 58' ' ' LEU . 12.3 tp -83.69 107.55 16.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 35.9 m -117.68 150.5 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.636 ' CG2' HD11 ' A' ' 58' ' ' LEU . 5.4 t -134.99 104.69 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.125 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -60.81 81.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.476 ' CZ ' HG21 ' A' ' 94' ' ' THR . 18.5 m-85 -61.99 97.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -111.39 94.95 5.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.1 p -73.12 135.79 44.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -79.67 120.78 5.33 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 107.42 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.278 . . . . 0.0 112.379 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 19.8 m -109.53 84.51 1.94 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 96.4 p -163.6 108.3 1.04 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.879 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.448 179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -83.81 -57.53 3.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.877 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -58.14 141.64 49.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.92 129.74 2.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.492 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.8 m -85.13 82.87 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.3 m 54.91 47.78 21.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.573 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . -146.81 141.4 9.42 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.8 m -107.91 105.55 15.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.121 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 10' ' ' VAL . 1.0 OUTLIER -60.33 123.65 17.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 179.904 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.549 HG11 ' HG ' ' A' ' 51' ' ' LEU . 57.4 t -117.82 110.96 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.131 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -84.51 112.8 20.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -106.57 110.65 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -71.6 156.26 39.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.869 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.594 ' HD3' ' CE1' ' A' ' 81' ' ' PHE . 15.6 mmtp -75.73 49.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.4 t -62.15 -56.55 17.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.808 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.75 158.86 29.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.65 -31.0 36.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 19' ' ' LEU . 82.2 p -142.12 108.2 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.139 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 18' ' ' THR . 15.1 tp -35.14 137.64 0.14 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -134.6 79.73 0.32 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.2 pt -139.0 139.34 40.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.126 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.11 142.85 46.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.14 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.3 pt -139.18 177.98 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.542 ' HG2' HG13 ' A' ' 37' ' ' VAL . 15.9 pt-20 -158.03 172.06 19.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.4 -141.01 15.11 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.465 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 128.84 150.59 7.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.23 -55.96 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 0.0 111.056 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.439 ' C ' ' OD1' ' A' ' 28' ' ' ASN . 23.8 t-20 -48.37 -41.84 29.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 30' ' ' ARG . 35.6 p -80.91 152.45 28.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.081 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 29' ' ' THR . 62.4 ttt180 -36.67 -39.56 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -81.21 116.48 63.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.619 0.723 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -50.87 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.312 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.558 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.6 mm? -97.4 155.15 37.66 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.919 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.625 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.0 Cg_endo -69.76 141.47 45.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' CZ ' ' HA2' ' A' ' 54' ' ' GLY . 41.4 ttt-85 -118.54 130.23 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.847 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD12 ' HB2' ' A' ' 55' ' ' HIS . 56.9 mt -65.87 115.65 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.542 HG13 ' HG2' ' A' ' 24' ' ' GLU . 5.1 m -99.33 -34.17 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.4 m -148.18 142.72 26.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.431 HG22 ' HB2' ' A' ' 46' ' ' HIS . 80.4 mt -117.57 100.3 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.146 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -53.71 141.9 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 41' ' ' ARG . 21.2 mtm105 -62.18 -40.01 94.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -87.16 45.61 3.43 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -125.54 144.16 14.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.473 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 57.5 p -53.19 -16.19 1.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.916 0.389 . . . . 0.0 110.909 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.31 -71.17 0.42 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.431 ' HB2' HG22 ' A' ' 39' ' ' ILE . 2.8 t-160 -42.66 -52.91 4.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -43.43 -45.8 6.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 43.4 t -70.59 -46.87 62.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.4 ' C ' ' N ' ' A' ' 51' ' ' LEU . . . 82.42 -30.13 3.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.487 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -44.88 -21.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.549 ' HG ' HG11 ' A' ' 10' ' ' VAL . 15.4 mt -103.72 168.34 9.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -143.56 165.12 28.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.878 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 97.1 t -77.95 121.72 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.452 ' HA2' ' CZ ' ' A' ' 35' ' ' ARG . . . 122.48 -3.61 10.26 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.494 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.501 ' HB2' HD12 ' A' ' 36' ' ' ILE . 24.6 m170 -72.28 174.38 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 62.0 t -134.18 108.16 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.495 ' O ' HD12 ' A' ' 65' ' ' LEU . 20.8 mt -74.66 112.66 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 mt -97.32 -35.36 10.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -136.3 143.11 44.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.546 HG21 HG12 ' A' ' 77' ' ' ILE . 75.5 t -139.66 119.72 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.511 ' N ' ' OD2' ' A' ' 90' ' ' ASP . 7.0 t-20 59.65 31.7 21.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' OD2' ' A' ' 90' ' ' ASP . . . 90.99 -25.29 14.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.491 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mp -75.4 140.82 43.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.82 137.56 32.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.625 HD13 ' HG3' ' A' ' 34' ' ' PRO . 72.2 mt -95.43 -3.17 47.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -56.4 125.54 22.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.48 15.34 80.0 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 40.8 mmtt -111.04 145.03 39.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.71 0.291 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' GLU . 26.3 mt-10 -85.5 144.94 27.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 5.8 t60 -34.56 -49.57 0.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -59.52 -46.58 88.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 69' ' ' GLU . 13.0 tt0 -58.15 -44.3 87.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.437 ' HA ' HD12 ' A' ' 76' ' ' ILE . . . -63.89 -49.14 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.073 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -46.13 -36.1 5.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -74.93 -45.44 42.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.437 HD12 ' HA ' ' A' ' 73' ' ' ALA . 63.7 mt -54.18 -51.14 50.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.546 HG12 HG21 ' A' ' 60' ' ' VAL . 33.4 mt -58.28 -54.26 35.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -50.96 -44.51 60.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -56.68 -32.86 65.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.485 ' HB1' HD22 ' A' ' 61' ' ' ASN . . . -71.11 -26.19 62.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.097 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.594 ' CE1' ' HD3' ' A' ' 14' ' ' LYS . 14.0 t80 -79.35 -47.48 15.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 83' ' ' THR . 39.7 mtmt -60.68 -61.89 2.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 82' ' ' LYS . 8.8 t -33.9 148.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.474 ' CD ' ' O ' ' A' ' 84' ' ' LYS . 5.3 tmtm? -107.13 26.66 9.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.15 -53.56 7.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.458 ' HD2' ' ND2' ' A' ' 61' ' ' ASN . 6.1 ptp180 -123.78 157.74 33.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' C ' ' HG2' ' A' ' 14' ' ' LYS . 0.7 OUTLIER -99.4 30.8 3.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.441 ' O ' ' CD ' ' A' ' 86' ' ' ARG . 42.5 p90 -166.08 172.66 11.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.441 HG13 ' CE ' ' A' ' 14' ' ' LYS . 71.5 mt -137.2 122.74 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 61' ' ' ASN . 0.0 OUTLIER -74.89 131.49 40.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -126.9 108.12 10.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.573 HD11 ' HA3' ' A' ' 7' ' ' GLY . 40.9 tp -91.83 110.66 22.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 30.0 m -116.72 154.05 18.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 3.1 t -122.3 -10.02 8.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.174 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 96' ' ' PHE . 7.1 tt0 44.03 53.51 6.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.412 ' C ' ' O ' ' A' ' 95' ' ' GLU . 8.3 m-85 -36.85 -54.46 0.92 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -133.91 159.48 40.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 61.5 p -132.69 113.77 13.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.66 75.5 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.515 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 161.82 44.42 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 21.1 t -136.82 127.62 27.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.823 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.9 t -63.37 -49.91 72.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -102.4 114.67 29.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.849 0.357 . . . . 0.0 110.86 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 m -92.33 139.02 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.0 92.68 0.7 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 m -109.71 160.54 16.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.848 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.3 m -46.72 118.54 2.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' A' ' 92' ' ' LEU . . . 177.36 160.81 24.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.433 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.451 ' N ' ' O ' ' A' ' 93' ' ' VAL . 89.8 m -131.96 107.87 8.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.832 0.348 . . . . 0.0 111.117 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -73.93 119.9 18.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.765 HG11 HD21 ' A' ' 51' ' ' LEU . 73.6 t -114.11 136.61 50.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -107.2 100.73 10.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.457 ' CG2' HD11 ' A' ' 51' ' ' LEU . 96.6 t -96.34 100.08 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.138 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 14' ' ' LYS . 1.2 tmmm? -67.07 150.16 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' N ' ' HD2' ' A' ' 13' ' ' LYS . 29.1 mttt -76.14 57.51 1.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.8 t -77.34 -37.75 51.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.01 127.76 32.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -44.6 -24.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 46.4 p -148.38 168.19 23.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 tp -99.72 132.77 44.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.47 85.17 0.26 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.469 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.9 pt -134.95 144.15 35.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.792 0.33 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -122.42 145.31 48.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.448 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 1.2 pt -143.39 176.71 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HG2' HG13 ' A' ' 37' ' ' VAL . 13.2 pt-20 -158.72 152.25 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.593 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 123.62 -140.77 13.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.519 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 131.72 148.28 6.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.13 -19.34 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.764 0.316 . . . . 0.0 111.094 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -73.92 -55.65 5.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.593 HG21 ' HA2' ' A' ' 25' ' ' GLY . 11.1 t -70.12 173.28 6.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.143 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -51.23 -34.34 31.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -82.18 116.44 63.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.596 0.712 . . . . 0.0 110.924 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HB2' HD22 ' A' ' 33' ' ' LEU . 53.6 Cg_endo -69.73 -47.5 0.92 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.715 2.277 . . . . 0.0 112.316 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.1 mm? -103.4 153.81 38.24 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.585 ' HG3' HD13 ' A' ' 65' ' ' LEU . 53.9 Cg_endo -69.72 141.46 45.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.674 2.249 . . . . 0.0 112.39 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.0 ttt180 -119.06 130.14 55.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.473 HD12 ' HB2' ' A' ' 55' ' ' HIS . 62.4 mt -64.26 120.5 11.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.423 HG13 ' HG2' ' A' ' 24' ' ' GLU . 10.0 m -103.9 -30.26 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.141 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 33.6 m -146.8 136.41 23.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.699 HG13 HG22 ' A' ' 53' ' ' VAL . 58.8 mt -120.42 100.95 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.164 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.0 mm-40 -59.61 135.61 57.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' HA ' ' CG ' ' A' ' 46' ' ' HIS . 44.5 mtt85 -61.86 -38.41 88.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -79.75 41.87 2.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.515 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -136.67 146.9 18.89 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.434 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 55.3 p -49.85 -31.79 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.891 0.377 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.47 90.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 41' ' ' ARG . 11.8 t-80 -58.05 -59.27 5.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -38.46 -60.32 0.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.8 m -70.13 86.47 0.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -46.63 -22.87 1.19 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.461 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -41.88 -40.69 2.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.765 HD21 HG11 ' A' ' 10' ' ' VAL . 83.6 mt -86.08 162.49 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.411 ' HG3' ' C ' ' A' ' 51' ' ' LEU . 51.5 mttt -151.56 153.64 34.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.699 HG22 HG13 ' A' ' 39' ' ' ILE . 79.6 t -66.6 109.9 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.23 2.18 4.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.473 ' HB2' HD12 ' A' ' 36' ' ' ILE . 14.2 m170 -76.53 172.63 12.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.489 HG12 HD23 ' A' ' 58' ' ' LEU . 99.5 t -132.69 110.51 15.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.487 HG21 ' CG2' ' A' ' 60' ' ' VAL . 22.2 mt -74.16 111.0 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.501 ' HB2' HD23 ' A' ' 92' ' ' LEU . 1.3 mt -97.93 -25.94 14.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -147.43 145.94 29.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.487 ' CG2' HG21 ' A' ' 57' ' ' ILE . 86.1 t -144.54 117.52 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 60.89 30.54 19.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.08 -28.92 9.44 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.5 mp -79.22 120.64 24.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.91 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.29 142.64 34.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD13 ' HG3' ' A' ' 34' ' ' PRO . 51.3 mt -98.52 14.27 28.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.416 ' HA ' HD11 ' A' ' 33' ' ' LEU . 4.0 ptt85 -55.15 -29.1 57.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -126.18 35.47 2.96 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -123.15 148.75 45.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 72' ' ' GLU . 41.2 mt-10 -91.88 152.36 20.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.448 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 14.1 t60 -37.13 -48.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -65.82 -39.88 91.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.467 ' N ' ' HD3' ' A' ' 71' ' ' ARG . 4.1 tp10 -63.59 -40.17 96.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.484 ' HB2' HD22 ' A' ' 65' ' ' LEU . . . -66.19 -50.4 64.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -45.11 -38.07 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.1 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 23.8 ttt180 -73.96 -44.73 53.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.403 HD12 ' HA ' ' A' ' 73' ' ' ALA . 73.5 mt -54.94 -50.54 61.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 23.8 mt -57.18 -54.58 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -49.26 -46.58 46.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -55.52 -34.78 64.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.35 -28.13 65.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.112 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -76.29 -48.88 18.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 83' ' ' THR . 36.8 mtmt -58.7 -60.48 3.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 82' ' ' LYS . 7.5 t -34.68 146.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -107.61 23.99 13.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -75.64 -36.01 60.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -145.5 154.81 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.14 29.46 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 88' ' ' TYR . 5.1 p90 -161.03 169.06 23.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 82.9 mt -131.64 120.19 44.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.157 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.432 ' OD1' ' C ' ' A' ' 90' ' ' ASP . 0.9 OUTLIER -68.91 125.97 28.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 179.89 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -125.03 104.07 8.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.501 HD23 ' HB2' ' A' ' 58' ' ' LEU . 13.5 tp -85.02 104.81 15.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.451 ' O ' ' N ' ' A' ' 8' ' ' THR . 27.3 m -116.76 155.76 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.649 HG21 ' CZ ' ' A' ' 96' ' ' PHE . 8.8 t -140.24 107.76 5.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -59.96 77.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.649 ' CZ ' HG21 ' A' ' 94' ' ' THR . 17.4 m-85 -60.36 97.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -148.34 147.55 29.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.3 p -148.63 166.25 28.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 102.4 -154.91 18.51 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 103.24 1.14 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.667 2.245 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.7 m -56.23 118.71 4.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.3 m 42.43 44.91 3.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.861 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -147.44 117.32 7.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.891 0.377 . . . . 0.0 110.827 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -159.79 173.9 15.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.55 -177.8 31.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -93.83 108.07 19.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -59.43 -32.94 70.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.74 147.74 19.33 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.495 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 52.3 m -115.5 104.25 11.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.127 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 10' ' ' VAL . 0.2 OUTLIER -67.35 128.76 37.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.731 ' N ' HD13 ' A' ' 9' ' ' LEU . 21.7 t -117.59 114.14 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -81.72 100.54 9.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.8 t -90.99 113.18 26.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 87' ' ' ASP . 0.9 OUTLIER -74.37 145.64 43.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 179.935 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -78.08 48.37 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 t -67.55 -44.33 78.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.84 131.29 40.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.38 -45.47 3.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.4 p -134.41 145.95 49.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.137 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.6 tp -81.72 129.57 34.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.842 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -126.27 101.49 0.61 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.461 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.5 pt -144.53 153.72 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.428 ' HB3' ' HB ' ' A' ' 38' ' ' THR . . . -130.46 141.96 50.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.077 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.464 ' O ' ' CE1' ' A' ' 70' ' ' HIS . 0.8 OUTLIER -141.19 177.22 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.132 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.412 ' HG2' ' CG1' ' A' ' 37' ' ' VAL . 13.2 pt-20 -156.03 176.31 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.696 ' HA2' HG21 ' A' ' 29' ' ' THR . . . 93.35 -146.14 17.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.442 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 130.6 153.68 7.75 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.43 -29.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.757 0.313 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -62.33 -59.79 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.696 HG21 ' HA2' ' A' ' 25' ' ' GLY . 9.9 t -74.77 162.47 28.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.7 ptt-85 -42.14 -27.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.449 ' H ' HG23 ' A' ' 29' ' ' THR . 33.2 tp60 -85.17 113.24 49.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.565 0.698 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -50.28 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.606 HD12 ' HB2' ' A' ' 65' ' ' LEU . 3.9 mm? -99.64 155.87 36.01 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.658 0.742 . . . . 0.0 110.919 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.778 ' HG3' HD13 ' A' ' 65' ' ' LEU . 54.3 Cg_endo -69.68 145.9 59.03 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.741 2.294 . . . . 0.0 112.327 179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' C ' HG22 ' A' ' 23' ' ' ILE . 30.7 ttt-85 -121.97 129.4 52.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.694 HD12 ' HB2' ' A' ' 55' ' ' HIS . 65.6 mt -63.44 115.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.412 ' CG1' ' HG2' ' A' ' 24' ' ' GLU . 19.2 m -102.01 -32.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.117 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.428 ' HB ' ' HB3' ' A' ' 22' ' ' ALA . 59.8 m -146.41 139.13 25.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 77.0 mt -122.51 100.08 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -47.24 153.2 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' O ' ' ND1' ' A' ' 46' ' ' HIS . 26.5 ttm180 -75.11 -28.99 60.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -102.04 46.88 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 45' ' ' ALA . . . -124.9 131.99 7.97 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.536 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.489 ' O ' ' ND2' ' A' ' 47' ' ' ASN . 22.4 p -34.96 -32.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.914 0.387 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 43' ' ' GLY . . . -65.47 -51.43 60.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.445 ' N ' ' O ' ' A' ' 43' ' ' GLY . 15.9 t-80 -49.74 -65.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 44' ' ' SER . 0.9 OUTLIER -38.73 -66.35 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 19.3 m -39.37 -53.36 2.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 83.19 -34.05 2.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -42.6 -31.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' C ' ' HD3' ' A' ' 52' ' ' LYS . 67.8 mt -85.28 171.02 12.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HD3' ' C ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -155.45 147.96 23.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.794 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 86.4 t -62.12 119.56 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.412 ' HA2' ' NH1' ' A' ' 35' ' ' ARG . . . 124.51 -1.39 8.77 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.452 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.694 ' HB2' HD12 ' A' ' 36' ' ' ILE . 26.6 m170 -76.22 171.92 13.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 34' ' ' PRO . 91.9 t -133.59 105.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.501 ' CG2' HG23 ' A' ' 60' ' ' VAL . 44.6 mt -67.99 107.56 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.48 HD12 ' HG ' ' A' ' 92' ' ' LEU . 0.9 OUTLIER -94.24 -25.87 16.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -149.19 144.71 26.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.786 HG11 ' HA ' ' A' ' 77' ' ' ILE . 53.3 t -140.48 113.18 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.172 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 66.72 30.27 8.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.24 -27.86 12.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.467 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.2 mp -81.55 119.03 23.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 t -78.33 138.71 38.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.778 HD13 ' HG3' ' A' ' 34' ' ' PRO . 95.2 mt -89.32 18.18 5.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -60.4 137.94 58.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 52.61 28.96 31.14 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 49.8 mmtt -115.85 140.7 48.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.745 0.307 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 70' ' ' HIS . 13.9 mt-10 -77.65 140.27 39.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.464 ' CE1' ' O ' ' A' ' 23' ' ' ILE . 2.0 t60 -35.79 -44.47 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -59.32 -48.91 79.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.4 tp10 -57.61 -39.43 76.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' CB ' HD22 ' A' ' 65' ' ' LEU . . . -65.25 -51.14 62.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.114 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -44.68 -34.43 2.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -77.45 -40.74 42.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 67.5 mt -60.75 -47.05 94.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.786 ' HA ' HG11 ' A' ' 60' ' ' VAL . 23.0 mt -61.68 -53.28 50.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -53.18 -47.62 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -55.0 -31.55 61.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.94 -27.32 65.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.134 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -81.7 -41.15 21.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -67.39 -49.81 62.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.7 t -48.11 149.36 1.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.155 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -104.41 27.55 7.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -74.77 -51.45 14.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -135.96 143.12 44.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.819 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.401 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 2.8 m-20 -81.26 41.19 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -173.17 179.39 2.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.914 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 89.5 mt -139.12 118.18 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.608 ' CB ' HD11 ' A' ' 9' ' ' LEU . 38.8 m-20 -77.25 110.04 11.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.814 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -102.61 106.32 16.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.48 ' HG ' HD12 ' A' ' 58' ' ' LEU . 12.0 tp -85.43 103.61 14.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.03 161.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.111 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 94' ' ' THR . 9.1 t -144.57 105.91 4.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.15 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -57.94 79.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.491 ' N ' ' O ' ' A' ' 94' ' ' THR . 3.5 m-85 -56.18 -52.28 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -86.03 107.86 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 81.4 p -173.68 134.93 0.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 176.01 -170.06 42.86 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.524 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -0.97 7.66 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.755 2.304 . . . . 0.0 112.3 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 86.7 p -133.52 172.03 13.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.8 t -61.24 92.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.454 179.975 . . . . . . . . 0 0 . 1 stop_ save_