data_2cqy_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 2cqy _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 ' 27' ' ' PHE . . . . . . . . . . . . . 52.8 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.905 0.384 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -107.97 10.02 28.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' O ' ' CG2' ' A' ' 30' ' ' VAL . . . -66.99 -133.71 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 59.8 t -158.83 143.8 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 111.112 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' A' ' 37' ' ' ALA . 11.4 t -96.75 138.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HE3' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -92.84 -43.05 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -143.05 161.25 38.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.47 -50.09 23.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -49.77 -47.93 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -63.76 -35.12 79.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.413 ' CB ' HG13 ' A' ' 31' ' ' VAL . . . -61.93 -32.83 73.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.9 t -72.24 -46.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -57.63 -49.38 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.55 -47.1 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB1' ' CG2' ' A' ' 48' ' ' VAL . . . -52.28 -57.18 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -45.6 -44.88 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.77 -40.06 91.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.4 mt -72.27 -34.01 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.9 110.95 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.565 ' CE1' HG23 ' A' ' 48' ' ' VAL . 97.6 m-85 -61.98 152.96 75.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.77 160.69 87.63 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.376 -0.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 46' ' ' TYR . 27.6 m -133.82 123.9 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.6 ttm -81.55 140.32 34.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.95 118.57 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -123.38 169.87 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.69 115.74 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -48.11 -48.12 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.55 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.9 mt -120.91 146.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.72 150.43 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.475 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 49.3 m95 -120.16 -16.53 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.8 m-20 -148.95 153.6 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' ASP . 7.4 p-10 -35.97 -45.04 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.4 -42.21 92.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.4 m -52.82 -38.14 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.11 -55.68 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.37 -40.01 58.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.12 -32.94 42.15 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 7.7 t80 -68.08 -42.9 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -56.76 -42.62 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.1 mt -79.5 -55.19 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.405 ' C ' HD22 ' A' ' 90' ' ' LEU . 65.0 m -48.43 -44.06 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -66.72 -44.97 80.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.52 -35.0 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.47 -55.1 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -56.69 -30.35 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.19 -15.77 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 t -113.07 -31.44 6.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -68.15 -62.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 54' ' ' ALA . 75.1 m-85 -102.65 -25.04 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.14 -41.35 1.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 81' ' ' ALA . 2.4 m-20 -88.12 166.98 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.01 17.65 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 mmt-85 -58.79 120.88 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' A' ' 74' ' ' PHE . 9.9 mt -110.25 177.53 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' LYS . 23.7 mt -143.49 159.1 43.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.1 mt -141.76 117.86 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -125.18 158.34 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -74.25 128.59 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.436 ' C ' ' CD1' ' A' ' 95' ' ' PHE . 4.8 t80 -105.26 119.87 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CZ ' HD11 ' A' ' 40' ' ' ILE . 57.1 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' VAL . 80.1 m-20 -130.59 -34.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -40.29 96.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' ASP . 13.3 p -43.41 137.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.6 t -71.7 154.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -104.48 -35.37 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.19 -51.25 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.33 -43.51 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.8 -39.05 90.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.56 -32.61 74.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.52 -49.56 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.07 -52.19 66.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.559 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 90.3 mt -55.58 -48.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.09 -54.18 42.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -48.44 -36.92 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -68.61 -44.0 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.8 -38.86 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.63 110.97 3.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.432 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 96.5 m-85 -64.19 153.43 85.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.76 157.03 92.48 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.351 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.4 m -131.92 126.51 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.6 ttm -85.1 146.2 27.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mt -124.45 120.76 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 176.16 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -99.41 112.18 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 2.0 t -46.76 -48.37 20.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.551 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.6 mt -128.77 147.1 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.62 153.4 43.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.491 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -119.86 -16.95 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.1 162.97 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -43.79 -50.7 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 11.1 pt-20 -51.62 -46.25 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 29.9 mt-10 -68.04 -44.9 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.3 m -48.85 -55.89 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -60.3 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.83 -36.55 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.57 -33.15 28.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.527 ' CD2' HD13 ' A' ' 90' ' ' LEU . 1.8 t80 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 14.3 mtp-105 -66.9 -32.99 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.22 -58.49 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.3 p -51.06 -23.78 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -71.51 -49.86 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -56.88 -39.5 74.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.79 -48.23 75.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.83 -31.22 66.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.7 86.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -92.01 -48.43 6.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 m -47.76 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 86.9 m-85 -90.06 -50.77 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.78 -34.71 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.418 ' CG ' ' HG3' ' A' ' 89' ' ' ARG . 4.4 t0 -99.48 159.8 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -95.76 -2.42 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.458 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 72.1 mtt180 -39.24 109.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 74' ' ' PHE . 33.5 mt -102.72 175.81 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 mt -143.16 159.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.7 mt -140.44 124.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -132.26 150.06 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -61.28 133.1 55.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -106.23 108.98 20.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.1 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.8 -1.13 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -152.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -142.47 146.57 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.9 t -90.62 146.44 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -102.39 -47.9 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.91 156.87 44.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -40.65 -46.4 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.74 -48.39 75.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.36 -43.41 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.97 -48.7 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -59.55 -46.02 90.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.8 mt -64.16 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . . . -63.43 -54.11 41.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -49.22 -38.67 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -63.1 -45.17 93.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -65.98 -42.75 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.88 111.71 3.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.529 ' CE2' HG21 ' A' ' 48' ' ' VAL . 81.2 m-85 -64.24 154.33 83.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.71 158.25 91.05 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.379 -0.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.529 HG21 ' CE2' ' A' ' 46' ' ' TYR . 34.6 m -134.47 129.0 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.3 ttp -91.06 149.04 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.3 mt -126.15 120.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.78 166.51 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.49 110.75 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -45.12 -46.11 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.551 HD13 ' CE1' ' A' ' 95' ' ' PHE . 58.5 mt -124.02 157.61 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.3 153.12 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 47.0 m95 -119.96 -29.03 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -133.28 158.47 42.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -41.92 -47.62 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.75 -39.32 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.63 -40.76 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.5 m -56.21 -48.55 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.19 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -66.16 -51.71 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.8 -40.62 72.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.22 -27.55 57.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.476 ' CE1' ' N ' ' A' ' 34' ' ' ALA . 16.2 t80 -70.62 -34.88 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 mtp-105 -67.65 -43.36 80.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.86 -52.44 11.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.4 m -55.49 -32.56 62.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.6 t -73.9 -62.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.52 -30.57 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.17 -61.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.2 -35.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.65 74.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -87.2 -12.28 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -91.54 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -101.39 -44.21 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.95 -31.8 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -91.33 143.88 26.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -94.35 4.77 53.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -55.42 126.99 27.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 mt -115.08 172.21 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt -136.82 153.92 50.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.5 119.14 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -127.49 146.57 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -57.46 130.25 45.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 63' ' ' ILE . 50.6 t80 -101.89 123.11 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.4 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 66.7 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -106.38 -36.73 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.585 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.69 100.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.1 p -48.13 136.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.07 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 t -68.65 161.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.41 -42.07 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.16 163.97 38.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.51 -51.37 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -49.79 -51.24 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.63 -38.8 85.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.14 -37.96 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.91 -42.01 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -63.87 -57.43 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.405 HD12 ' CE2' ' A' ' 27' ' ' PHE . 59.9 mt -51.78 -49.35 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -56.66 -42.25 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -59.76 -33.1 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.68 -42.67 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 94' ' ' LYS . 69.5 mt -63.53 -35.45 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.05 100.67 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.557 ' CE1' HG23 ' A' ' 48' ' ' VAL . 77.3 m-85 -54.36 154.69 8.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.914 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.2 Cg_endo -69.72 163.88 80.57 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 -1.779 . . . . 0.0 112.337 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' A' ' 46' ' ' TYR . 15.6 m -135.86 129.5 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 ttm -90.08 138.08 31.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 51' ' ' LYS . 41.5 mt -120.61 136.86 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.186 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' N ' HG23 ' A' ' 50' ' ' ILE . 6.1 mtmm -136.32 173.77 11.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -93.66 110.35 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -45.26 -46.82 12.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -125.1 150.49 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.45 155.65 38.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.7 m95 -122.25 -13.66 8.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.66 179.0 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.05 -45.49 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.66 -46.91 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.89 -37.66 86.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 m -59.45 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 5.1 mtm105 -62.06 -46.19 90.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.83 -55.07 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.26 -29.27 73.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -68.41 -39.92 81.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -68.4 -41.05 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' GLU . 29.9 mt -73.09 -62.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.8 t -48.59 -34.38 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -65.58 -55.69 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -52.31 -39.32 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 76' ' ' LEU . 1.1 mp0 -58.76 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -49.21 -37.08 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.1 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' SER . 16.2 t -102.92 -55.77 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' SER . 36.0 m -36.11 -56.82 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 54' ' ' ALA . 96.7 m-85 -108.92 -48.61 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.14 -29.79 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 81' ' ' ALA . 3.4 m-20 -102.31 167.85 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.802 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -108.76 16.91 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.406 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 52.0 mmt-85 -58.59 127.51 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -118.72 174.79 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 20.5 mt -140.32 165.11 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.1 mt -147.37 127.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -137.64 157.31 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 15.1 tptm -68.76 129.92 41.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 3.8 t80 -103.12 122.64 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 24.3 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -88.99 51.69 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.597 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -122.45 90.82 0.45 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 31' ' ' VAL . 92.7 t -35.26 135.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.454 ' N ' HG12 ' A' ' 30' ' ' VAL . 5.2 t -86.57 145.68 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -96.66 -42.35 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -145.61 157.32 43.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.28 -50.41 21.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -46.06 -52.16 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.427 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.6 tp10 -61.31 -36.45 80.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.64 -38.5 87.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.2 -52.53 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -55.15 -48.16 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.492 HD11 ' CE2' ' A' ' 27' ' ' PHE . 66.8 mt -60.51 -49.58 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.53 -55.02 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -47.43 -41.03 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -64.25 -43.77 93.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.77 -42.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.66 99.6 2.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 87.1 m-85 -52.69 153.72 5.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.696 0.76 . . . . 0.0 110.926 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.2 Cg_endo -69.82 153.59 93.17 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.37 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.72 125.57 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.2 ttm -84.99 150.7 24.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.2 mt -132.72 115.36 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -114.8 166.05 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.74 107.67 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -42.33 -37.02 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.598 ' O ' ' CD1' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' ' CE2' ' A' ' 95' ' ' PHE . 58.7 mt -121.05 144.81 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.84 146.96 43.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 60.0 m95 -113.73 -18.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -147.32 164.83 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -45.21 -49.88 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -51.5 -43.56 62.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.65 -36.27 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -58.46 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -70.8 -51.55 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -34.33 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.45 -30.29 37.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CD2' HD11 ' A' ' 90' ' ' LEU . 10.9 t80 -71.94 -32.66 67.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.58 -47.63 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.61 -35.81 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 m -69.1 -28.36 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 p -75.38 -53.04 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -52.48 -33.35 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.86 -59.47 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -61.03 -35.41 76.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.88 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.9 t -89.66 -55.97 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 42.8 t -35.41 -68.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 78.5 m-85 -95.06 -49.35 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.6 -34.48 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -100.9 155.86 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -99.27 16.72 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.443 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 12.6 mmm180 -58.87 123.45 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.552 HD11 ' CD2' ' A' ' 74' ' ' PHE . 12.3 mt -115.65 175.64 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' LYS . 49.9 mt -143.89 166.57 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.1 mt -145.62 117.31 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 15.9 mp0 -127.71 153.38 46.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -64.49 136.31 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.47 ' CE2' ' CD1' ' A' ' 63' ' ' ILE . 31.8 t80 -111.29 120.37 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.2 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 57.1 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 32.0 p-10 -81.9 -34.87 29.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.95 105.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 31' ' ' VAL . 6.7 p -63.3 137.71 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.449 ' N ' HG23 ' A' ' 30' ' ' VAL . 6.3 t -74.31 160.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -116.38 -36.07 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ALA . 24.3 p-10 -153.02 149.41 28.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -37.97 -48.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.62 -54.44 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.33 -39.0 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.94 77.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 50.3 t -67.14 -51.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtt85 -53.75 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.518 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 83.9 mt -65.68 -52.74 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -48.32 -48.0 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -56.44 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.82 -46.51 71.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.34 -35.13 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.2 106.7 2.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.525 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 97.4 m-85 -62.17 153.02 76.61 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.682 0.753 . . . . 0.0 110.927 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 163.11 82.65 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.354 -0.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.7 m -136.72 123.03 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.0 ttm -84.09 135.4 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.44 HG22 ' N ' ' A' ' 51' ' ' LYS . 59.2 mt -114.96 135.52 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 50' ' ' ILE . 1.3 mtmp? -134.52 160.68 37.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.02 114.49 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -44.13 -45.59 8.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.7 ttm-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.765 0.316 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 95' ' ' PHE . 52.4 mt -126.7 140.56 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.436 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -117.96 154.49 31.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.502 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.3 m95 -120.9 -24.51 5.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -141.07 162.94 34.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.79 -54.13 4.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.22 -44.17 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.88 -45.08 71.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.8 m -48.17 -53.62 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.77 -61.19 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.21 -33.24 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.63 24.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -70.0 -32.57 70.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.382 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -67.78 -46.56 71.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' SER . 24.2 mt -74.32 -62.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.424 ' C ' HD22 ' A' ' 90' ' ' LEU . 12.1 t -37.45 -48.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -61.69 -59.74 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -46.27 -35.88 5.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.53 -51.43 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.86 -34.08 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.23 -26.87 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -91.77 -29.45 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.0 m -75.67 -74.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 54' ' ' ALA . 76.5 m-85 -95.35 -47.44 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.03 -20.92 3.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -91.84 117.4 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.35 -9.07 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -47.68 145.54 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.424 HD22 ' C ' ' A' ' 77' ' ' SER . 22.9 mt -128.83 171.98 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.7 mt -136.86 174.41 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.7 mt -155.26 123.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.57 146.33 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -53.11 136.49 35.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 63' ' ' ILE . 40.0 t80 -106.7 117.86 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mm . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 58.4 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' GLY . 2.2 m-20 -114.21 -38.87 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.592 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -36.15 97.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 31' ' ' VAL . 13.5 p -46.26 142.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 ' N ' HG22 ' A' ' 30' ' ' VAL . 60.9 t -74.8 151.54 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' NZ ' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -99.68 -35.59 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -158.18 153.54 25.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -39.34 -53.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.59 -41.39 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.51 -35.18 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.64 -33.73 76.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.2 t -70.74 -41.89 77.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -62.34 -57.15 12.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mt -55.86 -40.02 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HB1' ' CZ ' ' A' ' 46' ' ' TYR . . . -59.33 -55.18 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -48.57 -40.23 26.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.57 -47.98 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.8 mt -61.46 -41.12 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.48 95.07 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.531 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 78.7 m-85 -48.15 154.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.952 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.4 Cg_endo -69.73 163.31 82.07 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.362 -0.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -137.94 123.62 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.5 ttm -81.08 140.69 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.11 130.22 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' NZ ' ' CD ' ' A' ' 93' ' ' GLU . 6.3 mtmt -129.52 174.9 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.16 108.63 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -45.07 -46.48 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 95' ' ' PHE . 51.0 mt -119.55 155.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.15 150.54 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.5 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 38.9 m95 -119.03 -10.54 9.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -152.85 163.03 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -42.99 -55.03 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.14 -45.65 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.45 -43.91 76.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 m -49.95 -52.83 30.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.1 -62.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -43.77 -46.77 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.93 -28.63 64.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.626 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 38.0 t80 -69.82 -39.05 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -64.67 -47.39 78.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' SER . 10.2 mt -68.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.4 m -44.74 -22.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 42.6 t -80.59 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -49.19 -31.8 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -67.03 -51.91 48.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.88 -25.11 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.42 -20.04 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -99.65 -6.7 26.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.407 ' OG ' ' CD1' ' A' ' 85' ' ' PHE . 77.8 p -102.97 -58.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.407 ' CD1' ' OG ' ' A' ' 84' ' ' SER . 26.8 m-85 -104.07 -47.3 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.1 -32.18 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 142.68 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.754 0.312 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -101.1 21.75 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -69.48 125.8 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.1 mt -111.45 166.03 11.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -132.96 160.31 37.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.7 mt -141.23 124.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.438 ' CD ' ' NZ ' ' A' ' 51' ' ' LYS . 60.1 mt-10 -133.79 158.07 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -65.73 130.0 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CE1' HD13 ' A' ' 63' ' ' ILE . 61.6 t80 -102.24 115.44 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.537 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 50.3 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p-10 -125.44 -33.53 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.56 92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' ASP . 8.1 p -39.2 135.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 32' ' ' LYS . 24.4 t -68.26 159.27 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' HG11 ' A' ' 31' ' ' VAL . 9.0 mmpt? -111.41 -41.04 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -154.74 156.25 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.607 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -41.68 -46.82 3.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.48 -43.28 79.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.23 -36.86 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -33.1 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.406 HG11 ' CG ' ' A' ' 67' ' ' ASP . 53.3 t -69.03 -49.24 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -57.88 -57.59 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.499 HG22 ' CE2' ' A' ' 27' ' ' PHE . 29.8 mt -51.01 -49.8 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' ILE . . . -51.82 -62.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -40.77 -40.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.26 -39.71 92.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' ALA . 50.2 mt -69.56 -31.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 105.98 1.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.53 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 91.8 m-85 -59.92 153.73 52.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.76 156.56 92.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.319 -0.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.0 m -132.22 124.91 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.6 ttm -81.43 151.06 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.96 118.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.18 173.94 6.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.96 108.54 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -43.01 -47.87 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 95' ' ' PHE . 70.1 mt -122.01 146.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.7 148.46 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.515 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -115.44 -14.68 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.3 161.6 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 40.9 t0 -40.98 -58.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 15.9 pt-20 -44.79 -44.39 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 25.6 mt-10 -70.57 -43.53 69.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.2 m -51.82 -48.39 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -66.74 -51.5 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.52 -34.81 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.06 -38.41 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 41.3 t80 -63.27 -30.5 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -72.13 -52.28 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.46 -57.49 6.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.7 m -50.02 -24.66 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 t -75.13 -56.54 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.43 -27.35 9.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -68.59 -66.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -52.68 -25.08 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -83.99 -43.24 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -46.29 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -93.81 -53.16 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 152.01 -25.17 0.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 81' ' ' ALA . 16.4 m-20 -107.13 169.16 8.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -109.95 9.6 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.437 ' CD ' HG23 ' A' ' 30' ' ' VAL . 48.5 mmt-85 -55.36 118.6 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.7 mt -109.28 176.64 5.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.3 mt -139.27 174.44 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mt -154.7 120.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.68 150.05 52.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -56.2 132.16 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.435 ' CE1' HD12 ' A' ' 63' ' ' ILE . 75.7 t80 -106.07 114.87 29.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 49.3 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.14 -29.37 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -38.29 103.63 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 31' ' ' VAL . 61.3 t -52.35 138.15 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 32' ' ' LYS . 11.5 t -78.12 149.45 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' N ' HG11 ' A' ' 31' ' ' VAL . 7.4 mmpt? -101.29 -40.13 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -152.62 152.9 32.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.549 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.1 -49.38 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -52.19 -48.67 64.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.44 -39.25 86.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' A' ' 70' ' ' THR . . . -56.55 -40.81 75.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.63 -55.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -52.47 55.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.496 HG23 ' CD2' ' A' ' 27' ' ' PHE . 61.0 mt -56.33 -44.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -61.68 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -41.61 -35.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.72 -53.73 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.07 -47.57 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.91 105.55 2.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.526 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -60.16 153.75 55.27 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 159.38 89.87 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.361 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.2 m -131.84 125.77 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.5 ttm -89.01 138.74 31.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 51' ' ' LYS . 19.3 mt -117.48 134.18 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' LEU . 5.7 mtmt -133.41 152.89 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.09 114.05 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.091 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -46.51 -49.77 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.407 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.426 ' NE ' HD12 ' A' ' 76' ' ' LEU . 34.7 ttm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.3 mt -128.5 146.97 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.85 155.47 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.496 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.9 m95 -122.01 -25.8 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.53 165.3 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.67 -49.18 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.63 -45.32 70.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.55 -41.2 89.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 65.1 m -55.73 -54.87 39.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -59.37 -55.2 37.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -37.01 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.98 -27.04 59.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 21.3 t80 -73.65 -33.66 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -70.62 -42.92 70.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.426 HD12 ' NE ' ' A' ' 62' ' ' ARG . 60.2 mt -66.88 -62.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.5 m -50.73 -23.47 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -70.56 -56.55 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -51.81 -40.41 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.48 -70.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.73 -35.25 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.22 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 48.3 t -103.25 -62.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 88.0 p -34.85 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 54' ' ' ALA . 97.9 m-85 -106.89 -51.0 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.95 -30.75 1.9 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -100.91 145.1 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -90.67 16.45 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -63.42 128.04 34.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.6 mt -117.53 174.89 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' LYS . 32.0 mt -144.73 158.58 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.3 mt -139.68 127.07 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -134.67 156.81 48.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -68.2 132.01 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.439 ' C ' ' CD1' ' A' ' 95' ' ' PHE . 6.8 t80 -103.71 115.15 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 56.9 t80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -128.93 -31.42 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.569 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.57 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -44.47 140.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.4 t -83.28 161.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -110.62 -44.75 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.26 161.65 38.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.1 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.57 -43.25 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.4 -36.17 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' HB1' ' CG2' ' A' ' 70' ' ' THR . . . -66.22 -30.09 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.38 -41.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -65.51 -55.29 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.0 mt -53.55 -46.35 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.13 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.1 mtp-105 -44.96 -44.0 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.74 -43.49 96.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mt -62.07 -41.83 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.19 94.92 2.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.528 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 82.3 m-85 -48.96 154.08 1.36 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 110.936 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.79 162.54 84.0 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.341 -0.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.419 HG23 ' CE1' ' A' ' 46' ' ' TYR . 35.3 m -136.28 123.11 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.0 ttm -84.03 128.52 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.77 130.88 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -131.72 179.32 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.418 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.2 t -54.21 -44.35 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.4 mt -111.95 148.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.26 146.14 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.431 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 61.8 m95 -114.93 -28.19 7.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -134.22 166.35 22.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -48.3 -56.48 7.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.09 -34.47 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -73.12 -45.85 54.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.451 ' CG2' ' HB1' ' A' ' 37' ' ' ALA . 54.2 m -49.75 -46.75 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -66.78 -58.39 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -45.51 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.51 -30.09 54.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 4.4 t80 -69.03 -38.05 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -62.94 -42.82 99.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.96 -63.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.3 m -40.57 -44.31 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.7 t -61.17 -48.67 80.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -60.4 -35.51 75.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.81 -52.19 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.92 -41.02 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -54.39 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -52.4 -40.08 61.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -55.29 -73.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -99.4 -49.58 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 152.8 -42.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -84.71 160.31 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -108.75 21.17 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.418 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 89.9 mtt-85 -66.26 121.78 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD11 ' CD2' ' A' ' 74' ' ' PHE . 14.7 mt -106.41 168.32 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.0 mt -135.46 166.42 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.4 mt -149.22 121.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -129.19 154.2 46.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -67.03 130.45 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.477 ' C ' ' CD1' ' A' ' 95' ' ' PHE . 3.5 t80 -100.49 120.14 39.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 16.7 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLY . 64.5 m-20 -41.86 -41.55 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.6 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.16 109.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.79 130.88 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 32' ' ' LYS . 19.4 t -65.89 157.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' NZ ' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -103.74 -42.08 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.15 159.48 44.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.17 -51.19 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -51.57 -41.88 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -70.57 -33.68 71.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.55 78.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.95 -49.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -60.69 -47.92 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.463 HD11 ' CE2' ' A' ' 27' ' ' PHE . 96.8 mt -63.83 -40.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.35 -47.24 86.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -55.33 -36.94 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.29 -39.72 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mt -68.04 -33.78 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.73 111.89 3.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.526 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 87.9 m-85 -68.43 153.69 95.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.907 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.79 154.62 93.42 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 -1.822 . . . . 0.0 112.353 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.482 HG23 ' CE1' ' A' ' 46' ' ' TYR . 29.4 m -122.98 123.05 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 47.8 ttm -79.89 130.12 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -117.65 114.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 169.44 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.88 114.5 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 2.6 t -45.85 -39.58 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 95' ' ' PHE . 50.2 mt -122.24 143.85 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 63' ' ' ILE . . . -118.96 149.23 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.5 m95 -115.31 -29.41 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.26 167.34 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.49 -56.4 7.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.99 -37.81 21.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.35 -42.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.8 m -50.49 -53.02 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.19 -58.36 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -50.56 -36.95 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.79 -36.37 32.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.42 ' CD2' HD13 ' A' ' 90' ' ' LEU . 26.7 t80 -66.6 -39.94 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -62.79 -49.46 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -71.53 -62.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -46.67 -21.95 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -76.57 -61.27 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.49 -30.55 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.41 -60.79 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.68 -27.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' SER . 13.6 t -102.83 -56.32 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 45.9 t -35.11 -48.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 90.6 m-85 -115.66 -50.62 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.07 -19.79 2.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.86 136.93 52.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -84.23 -11.53 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 35.7 mtt85 -43.5 116.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.42 HD13 ' CD2' ' A' ' 74' ' ' PHE . 11.8 mt -100.23 173.95 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 50.2 mt -140.72 161.76 37.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.3 mt -143.63 126.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -138.54 142.41 39.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -56.48 129.72 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 63' ' ' ILE . 18.9 t80 -105.97 121.46 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 35.4 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.97 -31.47 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -41.22 101.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.6 p -52.95 133.09 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 111.149 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -66.97 164.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 7.2 mmpt? -112.37 -34.81 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 2.3 m-20 -162.44 164.34 27.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.92 -51.27 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.04 -52.86 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -60.06 -40.21 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.72 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.1 t -72.48 -46.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 -58.76 -52.91 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.531 HG23 ' CE2' ' A' ' 27' ' ' PHE . 75.2 mt -60.54 -47.24 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.21 -53.86 47.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -49.97 -40.05 42.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -64.0 -42.73 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.5 -39.67 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.17 102.74 2.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.526 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 88.4 m-85 -56.14 153.93 16.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.944 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.82 158.76 90.84 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.334 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.62 124.17 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.7 ttm -83.29 135.01 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.1 mt -117.19 119.35 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 175.7 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.42 118.22 31.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -53.23 -32.87 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.856 0.36 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.444 HD11 ' CE1' ' A' ' 95' ' ' PHE . 19.7 mt -114.35 148.18 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.95 152.32 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.484 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 54.6 m95 -120.38 -15.28 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -151.75 168.56 24.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.47 -45.36 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.68 -47.54 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.36 -33.99 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.9 m -56.63 -56.35 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -61.86 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -46.23 56.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.92 -28.21 65.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 4.9 t80 -72.28 -39.04 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -64.09 -45.31 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.42 -56.98 4.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.2 m -49.65 -20.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -76.66 -53.25 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.11 -28.33 66.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.07 -62.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.6 -41.92 22.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -62.29 -73.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -47.37 -35.79 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -67.09 -74.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -98.69 -44.71 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 140.08 -43.45 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.59 116.58 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.03 2.97 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -52.81 126.67 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.9 mt -108.74 177.07 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.5 mt -143.97 160.3 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -141.7 126.75 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -136.65 152.78 50.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.85 133.37 54.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.444 ' CE1' HD11 ' A' ' 63' ' ' ILE . 55.9 t80 -108.79 111.88 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 39.0 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 21.8 m-20 -61.38 -41.66 97.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.599 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.18 109.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.61 136.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.442 HG12 ' CB ' ' A' ' 37' ' ' ALA . 8.6 t -71.39 160.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' N ' HG13 ' A' ' 31' ' ' VAL . 7.5 mmtp -112.26 -44.45 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -141.38 161.83 36.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -52.65 -47.41 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -54.41 -42.28 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' CG ' HD12 ' A' ' 40' ' ' ILE . 37.5 tt0 -68.53 -36.42 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.442 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -64.25 -36.63 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.44 -51.6 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -57.49 -49.22 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.557 HG23 ' CD2' ' A' ' 27' ' ' PHE . 69.9 mt -59.17 -52.44 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB1' ' CZ ' ' A' ' 46' ' ' TYR . . . -50.83 -47.68 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -54.62 -36.56 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -67.42 -40.72 85.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.5 mt -66.9 -37.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.96 102.23 2.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE1' HG21 ' A' ' 48' ' ' VAL . 80.4 m-85 -58.67 153.9 38.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.76 155.26 93.33 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.359 -0.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 46' ' ' TYR . 17.7 m -129.82 125.61 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.3 ttm -84.12 148.66 26.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.4 mt -128.91 113.43 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 165.68 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.61 112.54 21.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -42.17 -44.94 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB2' ' CG ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.792 0.329 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.9 mt -122.83 142.03 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.74 151.66 35.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.59 -11.51 10.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -152.41 158.39 42.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -39.27 -55.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 12.4 pt-20 -45.74 -48.27 15.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 23.0 mt-10 -66.54 -41.94 87.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -54.63 -41.41 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -70.83 -55.67 8.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.16 -40.63 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.89 -35.33 54.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CD1' HD13 ' A' ' 90' ' ' LEU . 50.4 t80 -64.26 -41.26 97.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -64.89 -47.52 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.86 -56.73 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -52.5 -46.77 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.1 p -56.55 -43.17 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -63.19 -36.83 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 84' ' ' SER . 51.2 mm-40 -67.0 -61.77 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -47.33 -31.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.415 ' O ' ' CA ' ' A' ' 86' ' ' GLY . . . -58.58 -69.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 m -79.79 -49.76 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 83' ' ' SER . 8.6 t -36.12 -64.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.483 ' CG ' ' HB2' ' A' ' 54' ' ' ALA . 84.4 m-85 -100.94 -52.37 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 82' ' ' ALA . . . 150.26 -17.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 81' ' ' ALA . 4.4 m-20 -121.33 135.28 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.23 -9.71 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.3 mtt85 -45.46 134.98 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.551 HD13 ' CD1' ' A' ' 74' ' ' PHE . 10.4 mt -120.23 170.22 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 17.1 mt -135.62 166.55 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 mt -146.7 116.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -125.77 155.03 41.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -69.06 134.36 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 9.0 t80 -108.12 113.29 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 70.8 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' GLY . 18.4 p-10 -92.99 -33.91 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.586 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.33 105.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.4 135.75 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 t -74.34 147.84 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' NZ ' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -97.24 -39.1 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.45 172.75 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.77 81.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.24 -54.42 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.71 -31.33 68.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.62 -32.1 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.7 -48.19 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.48 -54.9 41.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.514 HD12 ' CE2' ' A' ' 27' ' ' PHE . 61.5 mt -55.9 -53.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.01 -45.68 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -56.4 -32.24 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -73.47 -40.87 63.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.7 mt -61.58 -39.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.23 92.87 1.97 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.519 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 96.4 m-85 -43.82 153.17 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.74 158.58 90.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.01 123.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.4 ttm -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.1 mt -115.34 113.65 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.17 168.69 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.49 112.03 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.407 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.4 t -47.87 -40.76 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.424 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 14.0 ttt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.521 HD12 ' CE2' ' A' ' 95' ' ' PHE . 36.0 mt -118.51 147.13 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.86 147.76 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.484 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.6 m95 -119.63 -14.12 9.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -148.6 169.86 19.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -52.35 -50.91 61.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.41 -42.07 66.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.86 -37.44 73.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -54.99 -56.74 16.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -59.11 -58.54 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.0 -47.82 21.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.92 -37.02 74.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.65 -44.38 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -61.72 -42.6 99.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.09 -60.93 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.4 ' CB ' HD22 ' A' ' 90' ' ' LEU . 8.4 m -46.99 -32.09 3.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -66.51 -51.74 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -63.59 -63.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.05 -42.05 37.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.88 -32.55 14.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.8 t -96.28 -45.28 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -46.44 -64.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 54' ' ' ALA . 70.7 m-85 -105.89 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.15 -31.12 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -96.49 157.2 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 27.44 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -67.79 147.85 52.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 77' ' ' SER . 43.4 mt -136.38 175.33 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 77.2 mt -144.67 162.25 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.4 mt -140.64 119.87 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -135.3 141.12 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -50.01 128.04 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.521 ' CE2' HD12 ' A' ' 63' ' ' ILE . 32.6 t80 -94.14 106.69 18.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 51.5 t80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.4 m-20 -106.18 -43.9 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.09 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 p -48.45 142.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 t -71.1 156.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -104.18 -45.33 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -152.39 156.42 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.44 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -38.81 -48.45 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.18 -50.81 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -68.56 -46.78 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -58.48 -56.68 19.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.3 mt -50.82 -52.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.09 -58.19 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -45.56 -46.9 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -56.29 -43.99 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.01 106.83 3.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE1' HG23 ' A' ' 48' ' ' VAL . 95.4 m-85 -58.11 152.77 38.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.948 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.77 158.68 90.77 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.387 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 46' ' ' TYR . 29.5 m -132.23 126.66 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.0 ttm -88.05 140.14 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 51' ' ' LYS . 38.9 mt -120.92 134.13 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LEU . 9.6 mtmt -133.36 155.33 49.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.71 110.74 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 89' ' ' ARG . 1.3 t -46.0 -37.33 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.532 ' CD1' ' CE2' ' A' ' 95' ' ' PHE . 65.1 mt -120.29 146.73 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.83 146.81 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 56.6 m95 -114.73 -22.39 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -140.27 165.8 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.69 -54.99 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.44 ' N ' HH21 ' A' ' 71' ' ' ARG . 7.4 pt-20 -50.36 -43.55 54.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.84 -42.6 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.9 m -57.02 -48.96 77.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.44 HH21 ' N ' ' A' ' 68' ' ' GLU . 54.6 mtm180 -63.97 -48.74 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.94 -44.95 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.74 -31.78 57.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.532 ' CD2' HD11 ' A' ' 90' ' ' LEU . 25.0 t80 -64.06 -38.47 91.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 15.3 mtp-105 -63.1 -49.84 72.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.05 -55.02 10.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.408 ' C ' HD21 ' A' ' 90' ' ' LEU . 8.2 t -51.81 -28.14 14.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 t -81.01 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.44 -28.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.36 -66.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.72 -38.81 10.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.05 -62.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' SER . 25.6 p -73.96 -49.47 24.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' SER . 11.0 m -37.11 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -95.15 -52.52 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.38 -31.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.37 161.47 13.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.29 18.04 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' SER . 85.3 mtt-85 -62.88 118.92 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.532 HD11 ' CD2' ' A' ' 74' ' ' PHE . 16.2 mt -104.89 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' LYS . 30.2 mt -141.28 162.85 34.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.1 mt -141.08 133.83 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -140.93 162.58 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -77.03 130.8 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.532 ' CE2' ' CD1' ' A' ' 63' ' ' ILE . 11.1 t80 -105.26 119.93 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 40' ' ' ILE . 85.5 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 68.3 m-20 -115.6 -33.45 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.556 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.22 102.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.74 129.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' ' 74' ' ' PHE . 3.8 t -70.63 157.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -128.98 -35.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.5 144.94 36.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.587 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -43.76 -41.65 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.22 -39.42 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.5 tp10 -72.42 -32.97 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.46 ' CB ' HG13 ' A' ' 31' ' ' VAL . . . -65.36 -37.67 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.9 t -67.36 -51.04 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -53.43 -54.13 41.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 28.0 mt -57.16 -46.65 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.37 -60.76 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -42.41 -36.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.91 -51.23 42.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -58.9 -39.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.39 113.44 3.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.532 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 88.6 m-85 -66.15 153.58 91.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.751 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.77 155.14 93.42 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.346 -0.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.6 m -130.1 126.55 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.3 ttm -84.02 146.01 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt -127.37 120.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.47 175.99 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -102.49 98.25 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.089 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.452 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 3.2 t -37.01 -29.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.426 ' NH2' ' O ' ' A' ' 63' ' ' ILE . 6.3 ttp85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.426 ' O ' ' NH2' ' A' ' 62' ' ' ARG . 38.7 mt -126.75 142.01 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.56 156.7 26.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.433 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.0 m95 -122.46 -20.06 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.72 162.04 37.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -43.33 -50.66 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -52.26 -46.51 65.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HB3' ' NH2' ' A' ' 62' ' ' ARG . 30.9 mt-10 -66.17 -41.37 90.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -51.57 -54.02 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -62.08 -58.59 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.18 -40.32 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.19 -38.02 27.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 56.0 t80 -60.29 -31.11 69.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 22.4 mtp85 -73.42 -44.81 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.37 -64.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.2 m -47.2 -23.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.1 t -77.58 -48.04 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' ARG . 24.4 mt-30 -60.21 -31.01 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -69.52 -64.99 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.99 -37.49 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.3 -22.29 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.6 t -109.31 -66.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' SER . 3.8 p -34.67 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 10.5 m-85 -121.77 -51.01 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.57 -40.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 145.47 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.18 8.56 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 58.7 mtt85 -53.71 116.86 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 74' ' ' PHE . 27.7 mt -109.33 161.25 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 mt -131.06 161.52 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.15 130.26 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -137.21 156.59 48.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -64.16 134.11 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -109.38 118.65 37.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 89.2 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -83.77 18.31 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -78.34 -157.69 10.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.54 144.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 t -98.85 144.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -95.09 -48.2 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -145.3 157.67 44.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.614 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.61 -48.59 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -48.33 -55.59 10.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.45 -39.86 73.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.7 -38.77 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.01 -52.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 -54.69 -52.65 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.6 mt -56.61 -46.34 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.32 -51.66 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -50.99 -37.72 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.62 -41.95 87.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.94 -36.27 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.53 98.58 1.99 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.557 ' CE1' HG22 ' A' ' 48' ' ' VAL . 82.9 m-85 -48.67 153.72 1.35 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.79 163.1 82.79 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.557 HG22 ' CE1' ' A' ' 46' ' ' TYR . 33.7 m -135.49 123.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.4 ttm -87.38 135.77 33.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 51' ' ' LYS . 50.9 mt -116.36 133.43 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -131.59 158.28 41.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.79 118.89 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t -49.32 -48.25 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.534 ' HB1' ' CD1' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.9 mt -130.78 141.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.66 151.18 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.407 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 63.8 m95 -118.64 -18.42 9.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -148.36 160.51 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -41.99 -46.06 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -53.82 -48.09 70.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -68.2 -48.9 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.8 m -40.61 -45.35 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -72.36 -47.06 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.06 -50.01 49.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.45 -33.34 61.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.614 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 72.1 t80 -63.91 -41.76 97.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.95 -44.32 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.02 -62.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 m -44.0 -26.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -70.72 -59.09 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -57.78 -36.72 72.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -57.66 -54.98 40.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -35.99 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.02 -58.94 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -68.12 -12.34 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.4 m -88.54 -60.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.534 ' CD1' ' HB1' ' A' ' 54' ' ' ALA . 15.8 m-85 -118.13 -43.79 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.67 -23.7 3.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.87 96.26 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' ARG . 10.0 p-10 -55.48 -23.87 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' ASP . 27.1 mtm180 -36.2 152.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.548 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -131.57 172.32 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 29' ' ' GLY . 79.7 mt -137.12 158.85 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -141.34 128.69 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -132.83 162.85 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -75.77 128.4 35.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -101.01 116.33 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -95.56 8.43 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 91' ' ' LEU . . . -70.42 -149.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.9 t -145.89 132.67 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG11 ' CB ' ' A' ' 37' ' ' ALA . 6.9 t -81.04 150.95 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' NZ ' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.23 -46.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -138.57 161.05 38.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.99 -49.5 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -53.96 -43.9 70.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.36 -39.49 94.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.426 ' CB ' HG11 ' A' ' 31' ' ' VAL . . . -60.13 -37.35 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.456 ' CG1' ' HD2' ' A' ' 42' ' ' ARG . 52.4 t -64.23 -50.91 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.51 -56.21 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.1 mt -55.21 -45.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.68 -50.59 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HD2' ' CG1' ' A' ' 38' ' ' VAL . 40.7 mtp180 -52.41 -37.4 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.81 -35.34 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.1 mt -74.23 -28.98 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.16 108.48 1.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.535 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -62.74 153.78 77.5 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.721 0.772 . . . . 0.0 110.892 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.3 Cg_endo -69.72 161.43 86.08 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.397 -0.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.475 HG23 ' CE1' ' A' ' 46' ' ' TYR . 17.2 m -134.66 127.57 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 ttm -87.47 130.7 34.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.459 HG21 ' N ' ' A' ' 51' ' ' LYS . 19.9 mt -113.44 136.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 93' ' ' GLU . 7.1 mtmt -138.0 158.68 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.83 106.65 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -41.55 -45.04 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.932 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 95' ' ' PHE . 55.6 mt -124.44 144.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.7 140.07 50.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.495 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 62.6 m95 -110.59 -17.89 13.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -144.69 158.82 43.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.29 -45.28 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.29 -43.69 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.35 -35.24 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -60.46 -48.54 81.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -66.8 -43.15 84.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -32.62 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.97 -33.04 24.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 90' ' ' LEU . 9.6 t80 -66.45 -36.79 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -65.35 -50.01 67.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.57 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -47.19 -27.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 m -72.84 -60.01 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -47.13 -39.39 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.15 -69.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 82' ' ' ALA . . . -45.33 -46.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -34.44 -52.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 5.5 m -97.9 -52.15 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 66.4 m -34.54 -39.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -125.9 -47.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.66 -21.11 2.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.91 158.12 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.73 26.38 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -71.83 123.25 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 74' ' ' PHE . 20.1 mt -112.22 175.56 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 29' ' ' GLY . 36.6 mt -142.62 159.94 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' CD ' ' A' ' 93' ' ' GLU . 7.5 mt -140.53 116.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 51' ' ' LYS . 7.9 mp0 -126.72 151.1 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -55.6 136.37 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.459 ' CE1' HD11 ' A' ' 63' ' ' ILE . 36.3 t80 -108.24 119.59 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 84.7 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -108.81 17.12 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.545 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -81.33 89.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' GLY . 75.7 t -35.83 135.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.402 HG11 ' CB ' ' A' ' 37' ' ' ALA . 3.6 t -81.53 159.35 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -112.08 -37.52 5.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -145.46 175.1 10.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.93 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -50.03 70.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.09 -38.32 76.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.402 ' CB ' HG11 ' A' ' 31' ' ' VAL . . . -63.05 -33.85 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.57 -47.05 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.3 -37.94 82.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.0 mt -72.01 -49.97 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -51.81 -49.84 61.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -52.81 -38.85 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.72 -39.1 84.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.4 mt -70.89 -31.28 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.32 109.45 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.525 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 89.9 m-85 -62.41 153.37 76.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.701 0.763 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.54 ' HB3' ' CE3' ' A' ' 65' ' ' TRP . 53.9 Cg_endo -69.76 155.3 93.33 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.351 -0.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.8 m -130.67 124.96 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.3 ttm -84.4 149.59 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.7 mt -130.31 116.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.9 170.86 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.47 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -38.82 -39.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.566 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.0 mt -124.92 144.62 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.84 141.25 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.54 ' CE3' ' HB3' ' A' ' 47' ' ' PRO . 74.3 m95 -108.02 -15.85 14.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.96 158.99 41.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -37.81 -54.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.93 -46.02 31.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.66 -40.21 73.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 m -53.73 -55.74 23.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -62.07 -49.91 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.84 -35.23 68.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.56 -30.24 33.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.544 ' CD2' HD11 ' A' ' 90' ' ' LEU . 4.4 t80 -67.98 -30.31 69.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.3 -42.26 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.63 -39.32 57.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.2 m -69.96 -26.21 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.1 p -78.0 -49.66 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -57.77 -32.12 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.53 -68.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.63 -43.87 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.69 -35.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 85' ' ' PHE . 15.9 t -108.55 -59.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 10.1 m -35.11 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.566 ' CD2' ' HB1' ' A' ' 54' ' ' ALA . 44.6 m-85 -128.52 -43.9 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.51 -36.66 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.93 156.62 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -100.98 15.56 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.446 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 3.0 mmp_? -58.99 129.0 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.544 HD11 ' CD2' ' A' ' 74' ' ' PHE . 11.0 mt -119.13 170.89 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.4 mt -141.92 160.47 40.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.6 mt -140.71 121.32 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -130.41 157.28 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -70.68 131.85 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -108.15 120.15 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 40' ' ' ILE . 74.4 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 56.9 m-20 -132.53 -35.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -37.56 94.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG13 ' CZ ' ' A' ' 89' ' ' ARG . 10.8 p -37.59 142.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 32' ' ' LYS . 34.9 t -77.85 156.4 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' C ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -102.26 -36.98 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 32' ' ' LYS . 2.8 m-20 -157.18 163.89 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -51.5 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -45.15 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -65.17 -33.87 77.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.23 -31.42 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.3 t -69.43 -46.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -62.54 -55.54 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 27' ' ' PHE . 74.3 mt -49.89 -45.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -57.76 -55.2 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -50.46 -27.77 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.57 -29.94 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.73 -32.34 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 102.06 2.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.527 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 98.6 m-85 -56.44 152.95 22.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.75 159.82 89.03 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 ' CE1' ' A' ' 46' ' ' TYR . 34.3 m -130.04 122.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.9 ttm -85.27 128.89 34.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.3 mt -114.94 139.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' LEU . 12.4 mtmm -142.6 171.8 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.87 107.5 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -44.42 -30.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' A' ' 95' ' ' PHE . 76.2 mt -124.37 155.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.21 153.67 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TRP . . . . . 0.517 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 45.8 m95 -121.02 -7.92 9.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -147.18 175.5 10.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -59.43 -48.95 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.96 -43.9 86.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.9 -43.28 99.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 44.8 m -49.52 -52.54 28.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.19 -61.73 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -46.51 -37.35 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.06 49.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.7 t80 -74.69 -35.42 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -69.29 -42.26 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.47 -54.22 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.444 ' CB ' HD22 ' A' ' 90' ' ' LEU . 48.6 m -55.3 -33.29 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.5 p -70.27 -52.17 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -55.88 -35.18 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' SER . 66.0 mm-40 -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.43 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.62 72.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 t -96.17 -27.78 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 13.8 m -66.06 -68.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -98.92 -40.68 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.23 -35.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.4 155.01 16.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.27 32.1 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.465 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 9.9 mmm180 -71.24 130.61 41.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 77' ' ' SER . 22.9 mt -118.62 179.24 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' LYS . 25.7 mt -146.41 161.68 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.5 mt -143.91 123.64 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -133.31 154.87 50.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -68.56 128.02 35.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' A' ' 63' ' ' ILE . 10.9 t80 -102.33 111.8 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -139.02 158.69 43.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -166.21 149.51 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.58 131.13 7.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 p -155.64 161.77 40.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -161.29 153.78 20.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.46 101.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -59.49 -58.65 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.387 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt 58.49 41.45 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.0 mt -115.26 105.83 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.07 154.11 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t 56.26 48.94 16.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 115.31 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.415 ' C ' HD13 ' A' ' 15' ' ' LEU . 5.1 mt 67.69 27.48 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 14' ' ' LEU . 7.3 mp -130.67 125.96 35.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.31 122.18 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -121.62 154.13 37.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -88.58 -39.0 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -137.19 142.19 42.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -44.28 103.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.6 m -102.98 39.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -92.4 88.13 6.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -156.09 166.89 32.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 1.8 mt -98.81 136.81 20.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.683 0.754 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.75 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.74 120.38 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -84.05 115.39 22.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.384 . . . . 0.0 110.903 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -107.97 10.02 28.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' O ' ' CG2' ' A' ' 30' ' ' VAL . . . -66.99 -133.71 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 59.8 t -158.83 143.8 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 111.112 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.413 HG13 ' CB ' ' A' ' 37' ' ' ALA . 11.4 t -96.75 138.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HE3' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -92.84 -43.05 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -143.05 161.25 38.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.47 -50.09 23.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -49.77 -47.93 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -63.76 -35.12 79.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.413 ' CB ' HG13 ' A' ' 31' ' ' VAL . . . -61.93 -32.83 73.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.9 t -72.24 -46.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -57.63 -49.38 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.55 -47.1 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.425 ' HB1' ' CG2' ' A' ' 48' ' ' VAL . . . -52.28 -57.18 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -45.6 -44.88 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.77 -40.06 91.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 77.4 mt -72.27 -34.01 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.9 110.95 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.565 ' CE1' HG23 ' A' ' 48' ' ' VAL . 97.6 m-85 -61.98 152.96 75.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.77 160.69 87.63 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.376 -0.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 46' ' ' TYR . 27.6 m -133.82 123.9 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.6 ttm -81.55 140.32 34.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.95 118.57 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -123.38 169.87 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -89.69 115.74 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -48.11 -48.12 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.55 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . . . -52.44 -35.01 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.46 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -139.55 -81.52 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.63 -123.73 7.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.3 108.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.42 -40.49 8.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -78.78 99.26 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.4 -37.84 1.97 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -73.77 -176.55 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.825 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' N ' ' SD ' ' A' ' 61' ' ' MET . 38.7 ttt180 -130.99 158.75 39.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.9 mt -120.91 146.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.72 150.43 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.475 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 49.3 m95 -120.16 -16.53 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.8 m-20 -148.95 153.6 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' ASP . 7.4 p-10 -35.97 -45.04 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.4 -42.21 92.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.4 m -52.82 -38.14 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.11 -55.68 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.37 -40.01 58.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.12 -32.94 42.15 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 7.7 t80 -68.08 -42.9 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -56.76 -42.62 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.1 mt -79.5 -55.19 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.405 ' C ' HD22 ' A' ' 90' ' ' LEU . 65.0 m -48.43 -44.06 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -66.72 -44.97 80.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.52 -35.0 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.47 -55.1 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.441 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -56.69 -30.35 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.19 -15.77 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 t -113.07 -31.44 6.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -68.15 -62.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 54' ' ' ALA . 75.1 m-85 -102.65 -25.04 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.14 -41.35 1.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 81' ' ' ALA . 2.4 m-20 -88.12 166.98 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.01 17.65 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 mmt-85 -58.79 120.88 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.418 HD11 ' CD2' ' A' ' 74' ' ' PHE . 9.9 mt -110.25 177.53 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' LYS . 23.7 mt -143.49 159.1 43.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.1 mt -141.76 117.86 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -125.18 158.34 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -74.25 128.59 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 4.8 t80 -105.26 119.87 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.3 mt -128.77 107.77 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.11 -51.11 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -79.09 147.07 68.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.671 0.748 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -2.63 10.5 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -98.55 143.37 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 10.9 t60 -99.56 99.42 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.438 ' O ' ' CG2' ' A' ' 102' ' ' ILE . 7.7 tp -101.48 45.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 101' ' ' HIS . 94.0 p -39.95 117.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.25 -159.14 28.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 165.74 29.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.0 m -158.21 159.11 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.9 m -62.82 157.75 20.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -154.33 153.11 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.915 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -142.72 154.18 44.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.1 144.94 7.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 m -87.5 172.84 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.03 23.45 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.17 130.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -164.75 141.81 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -169.92 127.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.0 mp -136.62 135.98 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.7 156.6 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -163.01 166.0 24.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.78 160.03 40.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tt -170.89 109.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 15' ' ' LEU . 4.3 mm? -116.83 94.6 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.59 87.33 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -60.32 -28.12 67.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -105.98 122.76 46.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.19 85.17 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -173.97 142.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -88.5 158.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.35 -47.07 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.4 p -119.86 -179.17 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 1.3 mt -51.58 136.09 33.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.468 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.78 -1.55 8.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.16 -160.67 30.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CZ ' HD11 ' A' ' 40' ' ' ILE . 57.1 t80 -169.13 144.43 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' VAL . 80.1 m-20 -130.59 -34.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -40.29 96.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 28' ' ' ASP . 13.3 p -43.41 137.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.6 t -71.7 154.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -104.48 -35.37 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.19 -51.25 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.33 -43.51 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.8 -39.05 90.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.56 -32.61 74.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.52 -49.56 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.07 -52.19 66.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.559 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 90.3 mt -55.58 -48.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.09 -54.18 42.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -48.44 -36.92 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -68.61 -44.0 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.8 -38.86 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.63 110.97 3.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.432 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 96.5 m-85 -64.19 153.43 85.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.76 157.03 92.48 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.351 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.4 m -131.92 126.51 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.6 ttm -85.1 146.2 27.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mt -124.45 120.76 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 176.16 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -99.41 112.18 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.458 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 2.0 t -46.76 -48.37 20.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.551 ' HB2' ' CD1' ' A' ' 85' ' ' PHE . . . -51.16 -34.83 33.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.49 ' HA3' ' CE1' ' A' ' 85' ' ' PHE . . . -132.0 -73.69 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 61.35 139.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.01 -75.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.67 -29.59 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -112.97 81.89 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.361 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.63 -36.06 0.93 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -57.43 -175.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.844 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -113.46 156.08 24.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 56.6 mt -128.77 147.1 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.62 153.4 43.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.491 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -119.86 -16.95 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.1 162.97 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -43.79 -50.7 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 11.1 pt-20 -51.62 -46.25 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.444 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 29.9 mt-10 -68.04 -44.9 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.3 m -48.85 -55.89 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -60.3 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.83 -36.55 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.57 -33.15 28.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.527 ' CD2' HD13 ' A' ' 90' ' ' LEU . 1.8 t80 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 14.3 mtp-105 -66.9 -32.99 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.22 -58.49 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.3 p -51.06 -23.78 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -71.51 -49.86 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -56.88 -39.5 74.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.79 -48.23 75.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.83 -31.22 66.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.7 86.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -92.01 -48.43 6.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 m -47.76 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 54' ' ' ALA . 86.9 m-85 -90.06 -50.77 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.78 -34.71 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.418 ' CG ' ' HG3' ' A' ' 89' ' ' ARG . 4.4 t0 -99.48 159.8 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -95.76 -2.42 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.458 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 72.1 mtt180 -39.24 109.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.527 HD13 ' CD2' ' A' ' 74' ' ' PHE . 33.5 mt -102.72 175.81 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 mt -143.16 159.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.7 mt -140.44 124.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -132.26 150.06 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -61.28 133.1 55.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -106.23 108.98 20.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.8 mt -123.66 114.18 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.13 -30.67 67.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.0 m-80 -96.35 144.26 27.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.94 25.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -157.26 176.52 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -84.82 169.47 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 72.2 mt -124.06 132.67 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 t -75.61 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 178.21 179.35 48.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 2.89 3.19 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.618 2.212 . . . . 0.0 112.364 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 p -70.51 127.19 31.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.9 p -68.29 -42.27 79.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.439 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -109.66 109.9 20.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 m -78.61 -55.36 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.78 129.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -143.35 113.71 7.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -170.22 145.24 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.8 166.43 33.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -170.31 162.34 8.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -123.04 119.86 31.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 tp -159.45 133.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' HG2' ' N ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -78.87 -31.34 45.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.457 ' N ' ' HG2' ' A' ' 11' ' ' GLU . 74.6 m 36.65 49.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -95.65 41.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.02 83.41 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 HD12 ' CD ' ' A' ' 17' ' ' LYS . 4.6 pp -83.66 156.06 22.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -108.37 -56.48 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CD ' HD12 ' A' ' 15' ' ' LEU . 49.4 mtpt 60.76 49.86 5.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -106.3 36.28 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.71 127.15 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' VAL . 4.2 tp10 -111.7 86.38 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' GLU . 2.8 t 34.06 52.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -82.58 -67.51 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -121.92 -176.24 3.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.471 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 5.8 mt -90.33 136.04 28.96 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.471 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.3 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.05 -170.83 42.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -166.28 120.48 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.8 -1.13 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -152.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -142.47 146.57 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.9 t -90.62 146.44 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -102.39 -47.9 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.91 156.87 44.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -40.65 -46.4 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.74 -48.39 75.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.36 -43.41 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.37 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.8 t -62.97 -48.7 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -59.55 -46.02 90.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.8 mt -64.16 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . . . -63.43 -54.11 41.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 -49.22 -38.67 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -63.1 -45.17 93.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -65.98 -42.75 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.88 111.71 3.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.529 ' CE2' HG21 ' A' ' 48' ' ' VAL . 81.2 m-85 -64.24 154.33 83.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.71 158.25 91.05 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.379 -0.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.529 HG21 ' CE2' ' A' ' 46' ' ' TYR . 34.6 m -134.47 129.0 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 7.3 ttp -91.06 149.04 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.3 mt -126.15 120.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.78 166.51 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -88.49 110.75 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -45.12 -46.11 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.89 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.66 66.11 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -78.23 166.04 52.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.452 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.98 -41.15 0.69 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.63 -13.71 32.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -43.83 -39.4 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.14 46.12 0.55 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.42 ' CE ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -96.35 -175.48 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' CA ' ' HE3' ' A' ' 61' ' ' MET . 31.2 ttt85 -127.57 157.16 40.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.551 HD13 ' CE1' ' A' ' 95' ' ' PHE . 58.5 mt -124.02 157.61 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.3 153.12 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 47.0 m95 -119.96 -29.03 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -133.28 158.47 42.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -41.92 -47.62 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.75 -39.32 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.63 -40.76 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.5 m -56.21 -48.55 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.19 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -66.16 -51.71 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.8 -40.62 72.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.22 -27.55 57.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.476 ' CE1' ' N ' ' A' ' 34' ' ' ALA . 16.2 t80 -70.62 -34.88 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.6 mtp-105 -67.65 -43.36 80.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.86 -52.44 11.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.4 m -55.49 -32.56 62.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.6 t -73.9 -62.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.52 -30.57 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.17 -61.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.2 -35.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.65 74.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -87.2 -12.28 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -91.54 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -101.39 -44.21 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.95 -31.8 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -91.33 143.88 26.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -94.35 4.77 53.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -55.42 126.99 27.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 10.1 mt -115.08 172.21 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt -136.82 153.92 50.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.5 119.14 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -127.49 146.57 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -57.46 130.25 45.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.551 ' CE1' HD13 ' A' ' 63' ' ' ILE . 50.6 t80 -101.89 123.11 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.4 mm -119.15 101.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -75.17 -44.32 47.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -96.36 142.9 25.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -4.01 13.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -59.09 -69.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -72.04 86.67 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.7 pp -83.8 20.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.1 t 64.31 42.06 5.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.02 170.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -178.45 2.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.381 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.7 m -99.28 179.23 4.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -133.37 -62.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -168.16 175.78 6.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 t -172.41 166.04 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.08 176.96 48.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -164.34 165.12 22.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -144.02 152.03 40.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.72 167.86 37.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -107.19 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -167.81 119.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.9 mt -114.1 131.46 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -140.17 146.91 39.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -136.09 147.64 47.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.47 115.4 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -125.27 104.4 8.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 pp -141.15 164.21 30.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -116.93 108.94 16.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.044 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -144.23 -177.41 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 151.34 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.36 -179.84 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -125.97 43.39 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.96 142.05 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -44.69 149.64 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.2 p -138.79 165.54 26.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 7.2 mt -113.07 136.07 21.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.71 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.74 2.25 3.69 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.79 167.59 12.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 66.7 t80 -147.49 125.99 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -106.38 -36.73 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.585 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.69 100.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.1 p -48.13 136.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.07 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.1 t -68.65 161.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.41 -42.07 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.16 163.97 38.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.51 -51.37 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -49.79 -51.24 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.63 -38.8 85.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -58.14 -37.96 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.91 -42.01 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -63.87 -57.43 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.405 HD12 ' CE2' ' A' ' 27' ' ' PHE . 59.9 mt -51.78 -49.35 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -56.66 -42.25 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -59.76 -33.1 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.68 -42.67 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 94' ' ' LYS . 69.5 mt -63.53 -35.45 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.05 100.67 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.557 ' CE1' HG23 ' A' ' 48' ' ' VAL . 77.3 m-85 -54.36 154.69 8.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.914 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.2 Cg_endo -69.72 163.88 80.57 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 -1.779 . . . . 0.0 112.337 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' A' ' 46' ' ' TYR . 15.6 m -135.86 129.5 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 ttm -90.08 138.08 31.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.452 HG23 ' N ' ' A' ' 51' ' ' LYS . 41.5 mt -120.61 136.86 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.186 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' N ' HG23 ' A' ' 50' ' ' ILE . 6.1 mtmm -136.32 173.77 11.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -93.66 110.35 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.406 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -45.26 -46.82 12.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.564 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . . . -51.69 -32.36 29.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.543 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . 178.03 72.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -47.13 -74.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' GLY . . . 64.93 33.87 88.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' GLY . . . 37.08 -97.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' GLY . 25.8 mmtm -39.29 115.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.91 -9.73 11.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -100.54 -176.1 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.497 ' N ' ' SD ' ' A' ' 61' ' ' MET . 25.3 ttt-85 -129.58 162.0 29.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 67.3 mt -125.1 150.49 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.45 155.65 38.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.52 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.7 m95 -122.25 -13.66 8.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.66 179.0 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -59.05 -45.49 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.66 -46.91 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.89 -37.66 86.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 m -59.45 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 5.1 mtm105 -62.06 -46.19 90.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.83 -55.07 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.26 -29.27 73.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -68.41 -39.92 81.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -68.4 -41.05 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' GLU . 29.9 mt -73.09 -62.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.8 t -48.59 -34.38 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -65.58 -55.69 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -52.31 -39.32 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 76' ' ' LEU . 1.1 mp0 -58.76 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -49.21 -37.08 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.1 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' SER . 16.2 t -102.92 -55.77 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' SER . 36.0 m -36.11 -56.82 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 54' ' ' ALA . 96.7 m-85 -108.92 -48.61 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.14 -29.79 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 81' ' ' ALA . 3.4 m-20 -102.31 167.85 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.802 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -108.76 16.91 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.406 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 52.0 mmt-85 -58.59 127.51 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.5 mt -118.72 174.79 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 20.5 mt -140.32 165.11 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.1 mt -147.37 127.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -137.64 157.31 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 15.1 tptm -68.76 129.92 41.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 3.8 t80 -103.12 122.64 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt -138.98 121.43 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -91.21 -37.58 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.77 144.42 45.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 161.97 43.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -109.8 174.77 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 48.61 42.94 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.5 tt -81.96 133.48 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.6 p -43.8 108.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.29 176.01 36.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.74 13.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.262 . . . . 0.0 112.384 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -169.17 132.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.5 p -168.43 138.01 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -168.33 145.5 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -147.99 167.71 24.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.56 121.18 1.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -139.0 136.81 35.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -157.43 173.31 17.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 136.35 -151.84 20.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER 35.21 39.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' C ' HD11 ' A' ' 10' ' ' ILE . 38.9 mtpt -91.58 102.12 14.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.412 HD11 ' C ' ' A' ' 9' ' ' LYS . 5.3 mp -137.82 128.02 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.167 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -114.71 142.96 45.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 p -164.02 122.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' C ' HD22 ' A' ' 14' ' ' LEU . 28.1 mtpt -127.43 98.64 5.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD22 ' N ' ' A' ' 14' ' ' LEU . 1.6 pt? -163.58 147.51 10.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -160.76 117.73 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -157.61 178.44 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -111.37 -53.83 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -170.51 141.77 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.52 38.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -162.48 117.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.5 m -95.67 35.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -87.29 -66.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -132.2 -178.43 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 7.1 mt -86.85 136.11 34.73 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.6 Cg_endo -69.82 3.01 3.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.22 145.37 5.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 24.3 t80 -114.17 99.84 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -88.99 51.69 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.597 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -122.45 90.82 0.45 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 31' ' ' VAL . 92.7 t -35.26 135.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.454 ' N ' HG12 ' A' ' 30' ' ' VAL . 5.2 t -86.57 145.68 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -96.66 -42.35 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -145.61 157.32 43.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.28 -50.41 21.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -46.06 -52.16 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.427 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.6 tp10 -61.31 -36.45 80.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.64 -38.5 87.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.2 -52.53 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -55.15 -48.16 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.492 HD11 ' CE2' ' A' ' 27' ' ' PHE . 66.8 mt -60.51 -49.58 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.53 -55.02 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -47.43 -41.03 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -64.25 -43.77 93.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 63.3 mt -64.77 -42.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.66 99.6 2.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.529 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 87.1 m-85 -52.69 153.72 5.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.696 0.76 . . . . 0.0 110.926 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.2 Cg_endo -69.82 153.59 93.17 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.37 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.72 125.57 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.2 ttm -84.99 150.7 24.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 26.2 mt -132.72 115.36 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -114.8 166.05 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.74 107.67 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -42.33 -37.02 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.598 ' O ' ' CD1' ' A' ' 85' ' ' PHE . . . -88.23 42.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.555 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . 137.93 59.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.5 -114.72 1.07 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.83 27.54 59.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.16 53.77 31.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -106.92 97.05 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.7 43.53 5.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.29 -176.78 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -126.21 154.07 43.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 ' CD1' ' CE2' ' A' ' 95' ' ' PHE . 58.7 mt -121.05 144.81 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.84 146.96 43.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.511 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 60.0 m95 -113.73 -18.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -147.32 164.83 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -45.21 -49.88 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -51.5 -43.56 62.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.65 -36.27 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -58.46 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -70.8 -51.55 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -34.33 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.45 -30.29 37.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CD2' HD11 ' A' ' 90' ' ' LEU . 10.9 t80 -71.94 -32.66 67.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.58 -47.63 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.61 -35.81 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.5 m -69.1 -28.36 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 p -75.38 -53.04 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -52.48 -33.35 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.86 -59.47 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -61.03 -35.41 76.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.88 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.9 t -89.66 -55.97 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 42.8 t -35.41 -68.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 78.5 m-85 -95.06 -49.35 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.6 -34.48 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -100.9 155.86 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -99.27 16.72 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.443 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 12.6 mmm180 -58.87 123.45 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.552 HD11 ' CD2' ' A' ' 74' ' ' PHE . 12.3 mt -115.65 175.64 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' LYS . 49.9 mt -143.89 166.57 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.1 mt -145.62 117.31 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 15.9 mp0 -127.71 153.38 46.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -64.49 136.31 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.47 ' CE2' ' CD1' ' A' ' 63' ' ' ILE . 31.8 t80 -111.29 120.37 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.2 mt -131.74 113.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -53.28 -42.39 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -160.86 141.91 8.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.78 68.56 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -144.57 169.44 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -114.84 86.94 2.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 103' ' ' SER . 15.5 tt -123.32 159.55 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.429 ' N ' ' CG1' ' A' ' 102' ' ' ILE . 17.5 m -159.32 145.86 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.01 -158.34 18.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.539 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -174.59 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.719 2.28 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.7 m -131.01 174.44 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.0 t 53.43 42.05 32.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -170.02 155.48 5.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -173.78 176.28 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.41 151.55 5.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -172.26 174.3 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -167.56 173.41 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.8 132.77 3.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -167.28 171.06 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -115.34 142.56 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.6 mt -125.83 128.58 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -144.61 146.75 32.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.2 p -159.67 111.98 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -144.8 117.69 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 64.9 mt -130.12 159.3 37.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -150.76 134.64 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.28 107.86 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.49 119.32 24.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt 39.54 52.99 2.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.19 149.33 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.47 138.04 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 m -113.88 -2.1 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -129.65 103.72 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.6 t -165.87 174.27 9.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 3.1 mt -122.61 136.19 26.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.72 -4.29 13.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.08 -165.63 33.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 57.1 t80 -173.43 107.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 32.0 p-10 -81.9 -34.87 29.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.95 105.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 31' ' ' VAL . 6.7 p -63.3 137.71 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.449 ' N ' HG23 ' A' ' 30' ' ' VAL . 6.3 t -74.31 160.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -116.38 -36.07 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ALA . 24.3 p-10 -153.02 149.41 28.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -37.97 -48.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.62 -54.44 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.33 -39.0 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -57.99 -38.94 77.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.055 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 50.3 t -67.14 -51.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtt85 -53.75 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.518 HD12 ' CZ ' ' A' ' 27' ' ' PHE . 83.9 mt -65.68 -52.74 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -48.32 -48.0 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.0 mtp180 -56.44 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.82 -46.51 71.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.34 -35.13 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.2 106.7 2.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.525 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 97.4 m-85 -62.17 153.02 76.61 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.682 0.753 . . . . 0.0 110.927 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 163.11 82.65 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.354 -0.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.7 m -136.72 123.03 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.0 ttm -84.09 135.4 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.483 ' O ' ' CG ' ' A' ' 61' ' ' MET . 59.2 mt -114.96 135.52 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.44 ' N ' HG22 ' A' ' 50' ' ' ILE . 1.3 mtmp? -134.52 160.68 37.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -79.02 114.49 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -44.13 -45.59 8.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . . . -47.17 -37.08 9.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.53 64.22 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -51.09 170.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.09 -117.92 0.86 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.24 -40.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -101.34 39.06 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.07 -40.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -57.84 -176.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.845 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.448 ' N ' ' HG2' ' A' ' 61' ' ' MET . 25.7 ttm-85 -111.95 155.43 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD13 ' CE1' ' A' ' 95' ' ' PHE . 52.4 mt -126.7 140.56 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.436 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -117.96 154.49 31.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.502 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.3 m95 -120.9 -24.51 5.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -141.07 162.94 34.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.79 -54.13 4.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.22 -44.17 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.88 -45.08 71.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.8 m -48.17 -53.62 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.77 -61.19 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.21 -33.24 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.63 24.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -70.0 -32.57 70.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.382 . . . . 0.0 110.908 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -67.78 -46.56 71.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' SER . 24.2 mt -74.32 -62.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.424 ' C ' HD22 ' A' ' 90' ' ' LEU . 12.1 t -37.45 -48.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 22.6 t -61.69 -59.74 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -46.27 -35.88 5.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.53 -51.43 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -51.86 -34.08 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.23 -26.87 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -91.77 -29.45 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.0 m -75.67 -74.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 54' ' ' ALA . 76.5 m-85 -95.35 -47.44 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.03 -20.92 3.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -91.84 117.4 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.35 -9.07 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -47.68 145.54 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.424 HD22 ' C ' ' A' ' 77' ' ' SER . 22.9 mt -128.83 171.98 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.7 mt -136.86 174.41 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.7 mt -155.26 123.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.57 146.33 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -53.11 136.49 35.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.51 ' CE1' HD13 ' A' ' 63' ' ' ILE . 40.0 t80 -106.7 117.86 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mm -119.88 106.33 18.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.64 -40.69 11.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -80.94 160.73 65.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.66 12.46 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -66.74 98.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -145.98 131.51 18.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.419 HD11 ' N ' ' A' ' 102' ' ' ILE . 5.1 mp -114.05 94.11 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -54.72 -53.18 58.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.9 145.11 1.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.79 108.17 2.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 105' ' ' PRO . 24.9 p 34.35 45.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.0 p -124.08 172.24 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -158.74 117.0 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -158.7 176.81 11.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.97 165.13 23.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -164.78 170.75 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -172.24 163.23 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.36 151.69 6.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -122.53 145.41 48.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -164.1 171.45 15.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 tt 39.01 29.19 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 9' ' ' LYS . 12.5 pt-20 -86.12 138.11 32.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -174.66 119.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.68 153.22 40.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.5 pp -160.73 125.71 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tt -115.04 82.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.51 120.01 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -49.39 -44.46 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.65 106.03 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.08 86.75 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -164.91 136.86 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -107.18 109.25 27.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -111.53 -54.32 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.0 p -138.51 156.93 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 1.8 mt -117.14 136.8 23.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.68 0.752 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.73 -1.11 7.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.15 -165.79 32.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 58.4 t80 -172.79 134.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' GLY . 2.2 m-20 -114.21 -38.87 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.592 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -36.15 97.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.437 HG22 ' N ' ' A' ' 31' ' ' VAL . 13.5 p -46.26 142.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 ' N ' HG22 ' A' ' 30' ' ' VAL . 60.9 t -74.8 151.54 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -99.68 -35.59 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -158.18 153.54 25.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -39.34 -53.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.59 -41.39 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.51 -35.18 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.64 -33.73 76.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.2 t -70.74 -41.89 77.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -62.34 -57.15 12.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.4 mt -55.86 -40.02 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' HB1' ' CZ ' ' A' ' 46' ' ' TYR . . . -59.33 -55.18 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -48.57 -40.23 26.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.57 -47.98 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.8 mt -61.46 -41.12 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.48 95.07 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.531 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 78.7 m-85 -48.15 154.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.952 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.4 Cg_endo -69.73 163.31 82.07 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.362 -0.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 28.1 m -137.94 123.62 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.5 ttm -81.08 140.69 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.11 130.22 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' NZ ' ' CD ' ' A' ' 93' ' ' GLU . 6.3 mtmt -129.52 174.9 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.16 108.63 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -45.07 -46.48 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.45 -36.96 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.1 -70.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.2 -170.25 4.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.29 -49.11 0.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.24 -22.88 3.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -110.57 136.44 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.02 -34.91 4.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.47 ' O ' ' CE ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -64.93 -175.34 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.814 0.34 . . . . 0.0 110.854 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' N ' ' SD ' ' A' ' 61' ' ' MET . 26.2 ttt180 -133.61 155.78 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.567 HD13 ' CE1' ' A' ' 95' ' ' PHE . 51.0 mt -119.55 155.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -128.15 150.54 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.5 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 38.9 m95 -119.03 -10.54 9.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -152.85 163.03 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -42.99 -55.03 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.14 -45.65 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.45 -43.91 76.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.5 m -49.95 -52.83 30.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.1 -62.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -43.77 -46.77 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.93 -28.63 64.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.626 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 38.0 t80 -69.82 -39.05 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -64.67 -47.39 78.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' SER . 10.2 mt -68.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 57.4 m -44.74 -22.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 42.6 t -80.59 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -49.19 -31.8 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -67.03 -51.91 48.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.88 -25.11 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.065 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.42 -20.04 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -99.65 -6.7 26.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.407 ' OG ' ' CD1' ' A' ' 85' ' ' PHE . 77.8 p -102.97 -58.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.407 ' CD1' ' OG ' ' A' ' 84' ' ' SER . 26.8 m-85 -104.07 -47.3 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.1 -32.18 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 142.68 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.754 0.312 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -101.1 21.75 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -69.48 125.8 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.1 mt -111.45 166.03 11.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -132.96 160.31 37.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.7 mt -141.23 124.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.438 ' CD ' ' NZ ' ' A' ' 51' ' ' LYS . 60.1 mt-10 -133.79 158.07 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -65.73 130.0 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.567 ' CE1' HD13 ' A' ' 63' ' ' ILE . 61.6 t80 -102.24 115.44 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt -126.59 111.46 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -86.24 -39.43 16.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 100' ' ' ARG . 3.8 p-10 -85.09 142.48 38.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -3.71 12.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.3 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.498 ' O ' ' ND2' ' A' ' 98' ' ' ASN . 26.1 mmt180 -98.7 129.94 45.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -97.77 43.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 43.6 mt -124.52 100.01 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -75.42 125.49 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.32 171.51 41.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 157.2 61.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 p -115.0 157.75 23.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.3 t -135.69 156.84 48.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -174.68 156.2 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -172.28 171.47 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.11 153.98 8.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -173.5 146.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -169.62 174.12 6.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 166.95 139.97 2.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 21.7 m-20 -173.38 108.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 125.83 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 tp -164.87 135.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -152.47 128.21 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -167.03 142.37 4.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -169.51 109.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.1 tp -126.16 111.8 15.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.6 mp -152.37 129.92 11.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.17 148.91 13.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -148.42 141.06 24.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -109.18 43.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.09 91.78 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.036 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -135.9 142.29 44.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -115.77 -59.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -136.38 116.5 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -117.83 146.02 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 4.5 mt -89.28 136.15 30.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.5 Cg_endo -69.85 0.48 5.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.628 2.219 . . . . 0.0 112.346 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.41 156.61 6.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.537 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 50.3 t80 -129.96 143.74 50.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p-10 -125.44 -33.53 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.56 92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' ASP . 8.1 p -39.2 135.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG11 ' N ' ' A' ' 32' ' ' LYS . 24.4 t -68.26 159.27 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' HG11 ' A' ' 31' ' ' VAL . 9.0 mmpt? -111.41 -41.04 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -154.74 156.25 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.607 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -41.68 -46.82 3.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.48 -43.28 79.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.23 -36.86 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.41 -33.1 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.406 HG11 ' CG ' ' A' ' 67' ' ' ASP . 53.3 t -69.03 -49.24 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -57.88 -57.59 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.499 HG22 ' CE2' ' A' ' 27' ' ' PHE . 29.8 mt -51.01 -49.8 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 44' ' ' ILE . . . -51.82 -62.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.0 mtp85 -40.77 -40.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.26 -39.71 92.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 41' ' ' ALA . 50.2 mt -69.56 -31.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 105.98 1.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.53 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 91.8 m-85 -59.92 153.73 52.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.76 156.56 92.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.319 -0.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.0 m -132.22 124.91 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.6 ttm -81.43 151.06 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.96 118.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.18 173.94 6.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.96 108.54 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -43.01 -47.87 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.57 -44.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.512 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -136.98 -58.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.56 -134.43 49.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.535 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.95 -28.94 13.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.95 47.88 0.86 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -161.44 136.4 7.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.52 20.08 76.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.19 176.2 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -123.22 156.95 34.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.435 HD12 ' CE1' ' A' ' 95' ' ' PHE . 70.1 mt -122.01 146.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.7 148.46 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.515 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -115.44 -14.68 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.3 161.6 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' OD1' ' C ' ' A' ' 67' ' ' ASP . 40.9 t0 -40.98 -58.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 15.9 pt-20 -44.79 -44.39 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 25.6 mt-10 -70.57 -43.53 69.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.2 m -51.82 -48.39 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -66.74 -51.5 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.52 -34.81 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.06 -38.41 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 41.3 t80 -63.27 -30.5 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -72.13 -52.28 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.46 -57.49 6.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.7 m -50.02 -24.66 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 t -75.13 -56.54 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.43 -27.35 9.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -68.59 -66.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -52.68 -25.08 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -83.99 -43.24 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -46.29 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.512 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 97.9 m-85 -93.81 -53.16 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 152.01 -25.17 0.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 81' ' ' ALA . 16.4 m-20 -107.13 169.16 8.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -109.95 9.6 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.437 ' CD ' HG23 ' A' ' 30' ' ' VAL . 48.5 mmt-85 -55.36 118.6 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 17.7 mt -109.28 176.64 5.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.3 mt -139.27 174.44 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.7 mt -154.7 120.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.68 150.05 52.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -56.2 132.16 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.435 ' CE1' HD12 ' A' ' 63' ' ' ILE . 75.7 t80 -106.07 114.87 29.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.6 mt -126.54 113.71 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.72 -51.14 5.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -93.75 157.71 37.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 157.86 59.04 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 9.9 mtp-105 -149.42 173.96 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -134.17 169.79 16.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.6 pt -111.73 163.08 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.1 t -103.39 -55.2 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.3 161.62 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 1.84 4.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.389 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.5 p -39.18 121.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 m -55.85 -52.72 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.6 m 34.6 49.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.845 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -121.33 169.13 10.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.33 176.34 44.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -159.59 168.78 25.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -171.05 153.04 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.74 169.06 32.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -169.77 124.11 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.02 128.93 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -138.52 120.62 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -174.87 108.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.5 p -136.56 127.82 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -161.99 146.98 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -108.71 40.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -171.87 109.15 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.72 63.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.077 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -145.24 150.77 37.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -95.5 -50.5 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.05 131.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -89.6 136.05 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.4 p -89.12 159.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -98.32 -43.32 6.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 p -128.38 179.96 5.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 43.9 mt -61.55 137.38 94.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.79 79.64 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.75 -161.29 49.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.576 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 49.3 t80 -171.13 134.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.14 -29.37 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -38.29 103.63 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 31' ' ' VAL . 61.3 t -52.35 138.15 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG11 ' N ' ' A' ' 32' ' ' LYS . 11.5 t -78.12 149.45 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' N ' HG11 ' A' ' 31' ' ' VAL . 7.4 mmpt? -101.29 -40.13 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -152.62 152.9 32.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.549 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.1 -49.38 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -52.19 -48.67 64.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.44 -39.25 86.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.419 ' HB3' ' CG2' ' A' ' 70' ' ' THR . . . -56.55 -40.81 75.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.63 -55.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -52.47 55.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.496 HG23 ' CD2' ' A' ' 27' ' ' PHE . 61.0 mt -56.33 -44.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -61.68 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -41.61 -35.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.72 -53.73 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.0 mt -55.07 -47.57 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.91 105.55 2.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.526 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -60.16 153.75 55.27 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 159.38 89.87 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.361 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.2 m -131.84 125.77 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.5 ttm -89.01 138.74 31.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 51' ' ' LYS . 19.3 mt -117.48 134.18 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' LEU . 5.7 mtmt -133.41 152.89 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -80.09 114.05 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.091 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -46.51 -49.77 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.407 ' HB2' ' CD2' ' A' ' 85' ' ' PHE . . . -40.37 -32.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.048 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.53 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -171.04 57.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -66.15 -142.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.445 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.99 -38.55 3.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.75 41.9 0.9 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -92.49 33.02 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.15 23.95 4.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.451 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -64.54 -176.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 61' ' ' MET . 34.7 ttm-85 -112.93 156.79 22.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.3 mt -128.5 146.97 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.85 155.47 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.496 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.9 m95 -122.01 -25.8 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.53 165.3 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.67 -49.18 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.63 -45.32 70.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.55 -41.2 89.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' A' ' 37' ' ' ALA . 65.1 m -55.73 -54.87 39.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -59.37 -55.2 37.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -37.01 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.98 -27.04 59.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 21.3 t80 -73.65 -33.66 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -70.62 -42.92 70.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.426 HD12 ' NE ' ' A' ' 62' ' ' ARG . 60.2 mt -66.88 -62.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.5 m -50.73 -23.47 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -70.56 -56.55 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -51.81 -40.41 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.48 -70.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.73 -35.25 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.22 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 48.3 t -103.25 -62.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 88.0 p -34.85 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.53 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 97.9 m-85 -106.89 -51.0 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.95 -30.75 1.9 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -100.91 145.1 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -90.67 16.45 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -63.42 128.04 34.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 16.6 mt -117.53 174.89 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 51' ' ' LYS . 32.0 mt -144.73 158.58 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 26.3 mt -139.68 127.07 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -134.67 156.81 48.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.4 tptp -68.2 132.01 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 6.8 t80 -103.71 115.15 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.7 mt -130.92 112.12 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -75.68 -35.52 60.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 3.3 t30 -156.69 140.51 11.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.422 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 53.8 Cg_endo -69.76 176.03 7.32 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.31 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -168.45 143.34 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -44.68 169.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.409 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.7 pp -74.05 159.35 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -155.28 161.6 41.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.35 146.76 18.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.34 37.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 0.0 112.324 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.9 p -143.79 106.58 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.4 t -166.9 158.97 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p 63.52 33.71 13.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -127.27 151.55 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.09 105.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -150.16 121.13 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -150.82 162.41 40.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 153.58 127.29 1.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 26.1 m-20 -163.54 127.38 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -140.86 149.96 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 tt -174.5 135.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -166.95 120.52 1.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -147.21 116.86 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -125.75 157.27 37.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tt -171.8 130.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.52 115.31 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.76 120.25 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.06 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 140.18 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -151.75 143.27 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.79 173.25 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -148.45 146.32 28.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -118.66 115.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.98 91.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 t -163.93 175.54 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -57.43 133.64 81.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.657 0.741 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 4.28 2.28 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.627 2.218 . . . . 0.0 112.388 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.47 -155.02 19.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 56.9 t80 -170.71 146.26 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -128.93 -31.42 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.569 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.57 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.0 p -44.47 140.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.4 t -83.28 161.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.0 mmtt -110.62 -44.75 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.26 161.65 38.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.1 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.57 -43.25 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.4 -36.17 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' HB1' ' CG2' ' A' ' 70' ' ' THR . . . -66.22 -30.09 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.38 -41.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -65.51 -55.29 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.0 mt -53.55 -46.35 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.13 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.1 mtp-105 -44.96 -44.0 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.74 -43.49 96.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mt -62.07 -41.83 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.19 94.92 2.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.528 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 82.3 m-85 -48.96 154.08 1.36 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 110.936 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.79 162.54 84.0 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.341 -0.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.419 HG23 ' CE1' ' A' ' 46' ' ' TYR . 35.3 m -136.28 123.11 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 30.0 ttm -84.03 128.52 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.77 130.88 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -131.72 179.32 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.418 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.2 t -54.21 -44.35 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.96 -34.47 20.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -147.49 -60.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.548 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 52.71 -144.63 21.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.48 -38.03 3.51 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.38 16.44 7.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -69.47 -71.34 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.69 42.48 1.53 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.495 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -91.97 -174.88 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.321 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.495 ' N ' ' SD ' ' A' ' 61' ' ' MET . 20.4 ttt180 -135.81 152.83 51.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.4 mt -111.95 148.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.26 146.14 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.431 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 61.8 m95 -114.93 -28.19 7.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -134.22 166.35 22.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -48.3 -56.48 7.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.09 -34.47 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -73.12 -45.85 54.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.451 ' CG2' ' HB1' ' A' ' 37' ' ' ALA . 54.2 m -49.75 -46.75 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -66.78 -58.39 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -45.51 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.51 -30.09 54.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 4.4 t80 -69.03 -38.05 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -62.94 -42.82 99.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.96 -63.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.3 m -40.57 -44.31 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.7 t -61.17 -48.67 80.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -60.4 -35.51 75.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.81 -52.19 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -50.92 -41.02 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -54.39 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -52.4 -40.08 61.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -55.29 -73.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -99.4 -49.58 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 152.8 -42.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -84.71 160.31 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -108.75 21.17 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.418 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 89.9 mtt-85 -66.26 121.78 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD11 ' CD2' ' A' ' 74' ' ' PHE . 14.7 mt -106.41 168.32 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.0 mt -135.46 166.42 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.4 mt -149.22 121.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -129.19 154.2 46.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -67.03 130.45 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.477 ' C ' ' CD1' ' A' ' 95' ' ' PHE . 3.5 t80 -100.49 120.14 39.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.4 mt -133.72 121.7 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -92.7 -68.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -59.8 157.23 30.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.638 0.733 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 155.05 66.87 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.278 . . . . 0.0 112.32 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -145.57 167.14 23.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -111.64 120.75 43.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' SER . 31.4 pt -114.22 39.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' ILE . 85.5 p -35.54 -57.07 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.14 85.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 144.79 54.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.4 m -94.54 -53.18 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.0 t -68.04 88.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -173.8 140.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -165.47 175.45 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.79 166.1 38.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -171.16 173.15 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.8 p -173.3 152.01 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.39 -152.98 6.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -147.7 136.59 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 144.39 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 tt -133.06 82.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -162.1 109.71 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -137.09 107.46 6.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -171.58 134.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.6 mt -116.74 39.01 3.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 tp -95.99 99.56 11.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.29 152.28 47.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.91 167.24 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.86 -38.61 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.12 122.85 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.24 34.76 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 23' ' ' THR . 35.5 m -121.81 39.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' VAL . 10.2 t-20 -34.52 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 21' ' ' VAL . 11.5 p -134.15 172.01 13.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.2 mt -78.8 132.85 63.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 4.89 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.264 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 151.31 119.19 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 16.7 t80 -68.87 77.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLY . 64.5 m-20 -41.86 -41.55 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.6 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.16 109.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -63.79 130.88 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 32' ' ' LYS . 19.4 t -65.89 157.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -103.74 -42.08 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.15 159.48 44.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.17 -51.19 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -51.57 -41.88 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -70.57 -33.68 71.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.55 78.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 77.4 t -67.95 -49.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -60.69 -47.92 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.463 HD11 ' CE2' ' A' ' 27' ' ' PHE . 96.8 mt -63.83 -40.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.35 -47.24 86.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -55.33 -36.94 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.29 -39.72 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.0 mt -68.04 -33.78 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.73 111.89 3.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.526 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 87.9 m-85 -68.43 153.69 95.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.907 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.79 154.62 93.42 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 -1.822 . . . . 0.0 112.353 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.482 HG23 ' CE1' ' A' ' 46' ' ' TYR . 29.4 m -122.98 123.05 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 47.8 ttm -79.89 130.12 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -117.65 114.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 169.44 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -87.88 114.5 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.408 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 2.6 t -45.85 -39.58 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 85' ' ' PHE . . . -79.07 55.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 57' ' ' GLY . . . 113.51 43.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -46.23 90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . -108.13 131.48 10.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.66 -26.84 0.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -96.9 153.55 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.1 -50.14 4.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.447 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 61' ' ' MET . 3.4 ppp? -53.56 -174.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 -141.92 157.51 44.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 HD11 ' CE2' ' A' ' 95' ' ' PHE . 50.2 mt -122.24 143.85 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' N ' HG23 ' A' ' 63' ' ' ILE . . . -118.96 149.23 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.5 m95 -115.31 -29.41 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.26 167.34 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.49 -56.4 7.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.99 -37.81 21.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.35 -42.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.8 m -50.49 -53.02 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.19 -58.36 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -50.56 -36.95 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.79 -36.37 32.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.42 ' CD2' HD13 ' A' ' 90' ' ' LEU . 26.7 t80 -66.6 -39.94 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -62.79 -49.46 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -71.53 -62.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -46.67 -21.95 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -76.57 -61.27 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.49 -30.55 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.41 -60.79 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.68 -27.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' SER . 13.6 t -102.83 -56.32 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 45.9 t -35.11 -48.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 90.6 m-85 -115.66 -50.62 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.07 -19.79 2.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.86 136.93 52.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -84.23 -11.53 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 35.7 mtt85 -43.5 116.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.42 HD13 ' CD2' ' A' ' 74' ' ' PHE . 11.8 mt -100.23 173.95 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 50.2 mt -140.72 161.76 37.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 38.3 mt -143.63 126.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -138.54 142.41 39.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -56.48 129.72 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.47 ' CE2' HD11 ' A' ' 63' ' ' ILE . 18.9 t80 -105.97 121.46 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 15.2 mt -129.63 104.36 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -53.66 -60.16 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -70.2 143.78 91.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -2.89 10.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.86 142.45 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -54.58 -72.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.32 93.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.4 t -41.29 -53.96 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 136.75 77.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 111.78 2.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.7 p -65.19 -43.38 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t 66.93 42.2 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -165.34 150.23 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -174.94 149.83 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.06 142.3 8.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -169.98 121.1 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 t -109.53 -61.54 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.61 83.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -119.33 122.68 42.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -173.49 147.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.0 tt -173.1 140.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -174.15 152.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.2 t -162.01 117.61 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -154.75 175.68 13.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 mt -131.18 41.07 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 tp -159.82 115.13 2.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.3 115.93 25.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -105.09 102.09 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -72.34 -12.25 61.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.46 103.17 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -115.16 137.18 52.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -116.55 112.39 39.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -119.35 57.83 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.8 p -155.77 120.87 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -97.7 127.23 38.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.87 12.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.06 -159.27 10.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 35.4 t80 -170.85 136.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.97 -31.47 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -41.22 101.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.6 p -52.95 133.09 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 111.149 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.5 t -66.97 164.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 7.2 mmpt? -112.37 -34.81 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 2.3 m-20 -162.44 164.34 27.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -44.92 -51.27 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.04 -52.86 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -60.06 -40.21 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.72 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.1 t -72.48 -46.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 -58.76 -52.91 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.531 HG23 ' CE2' ' A' ' 27' ' ' PHE . 75.2 mt -60.54 -47.24 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.21 -53.86 47.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -49.97 -40.05 42.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -64.0 -42.73 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.5 -39.67 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.17 102.74 2.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.526 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 88.4 m-85 -56.14 153.93 16.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.944 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.82 158.76 90.84 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.334 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 26.8 m -132.62 124.17 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.7 ttm -83.29 135.01 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.1 mt -117.19 119.35 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 175.7 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.42 118.22 31.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -53.23 -32.87 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.89 99.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.51 71.63 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.66 -100.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.33 -64.04 2.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' LYS . . . 143.85 -100.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' GLY . 20.4 mmtp -37.02 103.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.48 -42.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -70.02 -175.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 110.91 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.492 ' N ' ' SD ' ' A' ' 61' ' ' MET . 32.0 ttt180 -130.66 152.91 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.444 HD11 ' CE1' ' A' ' 95' ' ' PHE . 19.7 mt -114.35 148.18 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.95 152.32 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.484 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 54.6 m95 -120.38 -15.28 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -151.75 168.56 24.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.47 -45.36 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.68 -47.54 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.36 -33.99 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.9 m -56.63 -56.35 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.1 mtt-85 -61.86 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -46.23 56.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.92 -28.21 65.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 4.9 t80 -72.28 -39.04 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -64.09 -45.31 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.42 -56.98 4.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.2 m -49.65 -20.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -76.66 -53.25 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.11 -28.33 66.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.07 -62.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -47.6 -41.92 22.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -62.29 -73.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -47.37 -35.79 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -67.09 -74.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -98.69 -44.71 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 140.08 -43.45 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.59 116.58 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.03 2.97 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -52.81 126.67 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 26.9 mt -108.74 177.07 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.5 mt -143.97 160.3 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -141.7 126.75 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -136.65 152.78 50.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.85 133.37 54.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.444 ' CE1' HD11 ' A' ' 63' ' ' ILE . 55.9 t80 -108.79 111.88 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -122.24 107.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -95.97 -30.98 13.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.429 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 4.7 t-20 -95.51 140.06 22.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 53.6 Cg_endo -69.81 -2.68 10.61 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 tpt85 -107.64 101.87 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -42.17 141.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mp -87.17 -53.3 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.9 m -38.12 106.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.06 83.2 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.02 22.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.3 p -152.17 120.37 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.5 t -106.88 132.43 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -86.83 172.8 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -120.24 -58.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.39 -136.44 8.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' SER . 37.1 p -112.46 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 26.9 m -36.03 -62.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.07 41.94 1.73 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 3.9 p-10 -167.8 110.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.8 127.14 46.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 mm -80.62 116.99 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -170.5 166.07 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t 52.57 43.15 31.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -54.58 118.57 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 tp -91.36 105.31 17.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 mt 44.85 40.05 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 80.32 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -121.31 152.52 38.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -107.69 138.24 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.03 132.0 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -83.36 157.85 22.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.13 152.47 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -82.5 -62.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -168.42 177.34 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.1 mt -92.58 121.99 65.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.663 0.744 . . . . 0.0 111.118 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -3.43 11.92 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 162.68 109.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 39.0 t80 -59.78 89.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 21.8 m-20 -61.38 -41.66 97.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.599 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.18 109.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.61 136.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.442 HG12 ' CB ' ' A' ' 37' ' ' ALA . 8.6 t -71.39 160.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' N ' HG13 ' A' ' 31' ' ' VAL . 7.5 mmtp -112.26 -44.45 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -141.38 161.83 36.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -52.65 -47.41 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -54.41 -42.28 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' CG ' HD12 ' A' ' 40' ' ' ILE . 37.5 tt0 -68.53 -36.42 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.442 ' CB ' HG12 ' A' ' 31' ' ' VAL . . . -64.25 -36.63 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.44 -51.6 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -57.49 -49.22 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.557 HG23 ' CD2' ' A' ' 27' ' ' PHE . 69.9 mt -59.17 -52.44 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HB1' ' CZ ' ' A' ' 46' ' ' TYR . . . -50.83 -47.68 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -54.62 -36.56 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -67.42 -40.72 85.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.5 mt -66.9 -37.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.96 102.23 2.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.568 ' CE1' HG21 ' A' ' 48' ' ' VAL . 80.4 m-85 -58.67 153.9 38.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.76 155.26 93.33 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.359 -0.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.568 HG21 ' CE1' ' A' ' 46' ' ' TYR . 17.7 m -129.82 125.61 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.3 ttm -84.12 148.66 26.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 56.4 mt -128.91 113.43 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 165.68 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -86.61 112.54 21.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -42.17 -44.94 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.483 ' HB2' ' CG ' ' A' ' 85' ' ' PHE . . . -49.95 -54.82 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.93 62.62 0.39 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -69.07 -106.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.77 45.74 54.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.73 66.39 2.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' HZ3' ' CA ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -123.0 86.14 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.51 41.78 9.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.471 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -84.03 -175.35 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.322 . . . . 0.0 110.871 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.471 ' N ' ' HG2' ' A' ' 61' ' ' MET . 20.0 ttt180 -120.74 151.46 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.9 mt -122.83 142.03 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.74 151.66 35.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.59 -11.51 10.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -152.41 158.39 42.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -39.27 -55.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 12.4 pt-20 -45.74 -48.27 15.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.417 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 23.0 mt-10 -66.54 -41.94 87.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -54.63 -41.41 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -70.83 -55.67 8.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.16 -40.63 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.89 -35.33 54.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.551 ' CD1' HD13 ' A' ' 90' ' ' LEU . 50.4 t80 -64.26 -41.26 97.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -64.89 -47.52 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.86 -56.73 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -52.5 -46.77 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.1 p -56.55 -43.17 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -63.19 -36.83 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 84' ' ' SER . 51.2 mm-40 -67.0 -61.77 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -47.33 -31.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.415 ' O ' ' CA ' ' A' ' 86' ' ' GLY . . . -58.58 -69.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 m -79.79 -49.76 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 83' ' ' SER . 8.6 t -36.12 -64.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.483 ' CG ' ' HB2' ' A' ' 54' ' ' ALA . 84.4 m-85 -100.94 -52.37 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 82' ' ' ALA . . . 150.26 -17.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 81' ' ' ALA . 4.4 m-20 -121.33 135.28 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.23 -9.71 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.3 mtt85 -45.46 134.98 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.551 HD13 ' CD1' ' A' ' 74' ' ' PHE . 10.4 mt -120.23 170.22 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 17.1 mt -135.62 166.55 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 mt -146.7 116.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -125.77 155.03 41.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -69.06 134.36 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CD1' ' C ' ' A' ' 95' ' ' PHE . 9.0 t80 -108.12 113.29 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.0 mt -124.42 112.97 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.18 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 100' ' ' ARG . 13.1 p-10 -54.98 149.57 23.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.89 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -1.28 8.26 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.427 ' O ' ' ND2' ' A' ' 98' ' ' ASN . 5.8 mmt85 -123.16 159.95 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -65.23 179.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 68.8 mt -107.44 -64.34 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 t 65.13 41.32 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.38 83.34 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 138.61 38.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.223 . . . . 0.0 112.379 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 m -101.78 -178.21 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -41.11 158.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -112.75 172.2 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 p -164.54 162.01 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.96 -138.44 2.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 t -161.02 140.01 10.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -155.4 116.77 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.41 112.74 0.39 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -155.24 160.52 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -115.52 118.84 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.5 mt -101.25 -49.46 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.99 174.25 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t 72.72 40.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -107.74 57.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.7 mt -92.21 112.45 24.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -171.8 138.4 1.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.51 89.04 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -139.99 113.03 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HA ' ' NZ ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -143.32 120.28 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.05 112.66 21.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -101.17 147.02 26.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.3 p -94.82 158.99 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -43.37 147.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 p -118.88 159.27 24.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 83.1 mt -100.17 123.9 45.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.6 0.714 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.95 3.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.96 127.8 2.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.586 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 70.8 t80 -112.71 114.83 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' GLY . 18.4 p-10 -92.99 -33.91 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.586 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.33 105.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.4 135.75 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 t -74.34 147.84 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' NZ ' ' HA ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -97.24 -39.1 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.45 172.75 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.77 81.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.24 -54.42 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.71 -31.33 68.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.62 -32.1 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.9 t -72.7 -48.19 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.48 -54.9 41.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.514 HD12 ' CE2' ' A' ' 27' ' ' PHE . 61.5 mt -55.9 -53.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.01 -45.68 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.8 mtt180 -56.4 -32.24 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -73.47 -40.87 63.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.7 mt -61.58 -39.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.23 92.87 1.97 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.519 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 96.4 m-85 -43.82 153.17 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.74 158.58 90.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.01 123.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.4 ttm -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.1 mt -115.34 113.65 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.17 168.69 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.49 112.03 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.407 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.4 t -47.87 -40.76 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.424 ' HB3' ' CD1' ' A' ' 85' ' ' PHE . . . -45.75 -46.05 14.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -133.21 -61.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.41 -160.47 36.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 112.75 -38.97 3.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.47 51.64 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.25 -53.01 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.55 45.83 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.483 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -101.45 179.01 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.483 ' N ' ' SD ' ' A' ' 61' ' ' MET . 14.0 ttt180 -126.04 156.46 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.521 HD12 ' CE2' ' A' ' 95' ' ' PHE . 36.0 mt -118.51 147.13 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.86 147.76 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.484 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.6 m95 -119.63 -14.12 9.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -148.6 169.86 19.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -52.35 -50.91 61.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.41 -42.07 66.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.86 -37.44 73.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.0 m -54.99 -56.74 16.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -59.11 -58.54 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.0 -47.82 21.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.92 -37.02 74.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -63.65 -44.38 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -61.72 -42.6 99.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.0 mt -73.09 -60.93 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.4 ' CB ' HD22 ' A' ' 90' ' ' LEU . 8.4 m -46.99 -32.09 3.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -66.51 -51.74 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -63.59 -63.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -49.05 -42.05 37.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.88 -32.55 14.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.8 t -96.28 -45.28 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -46.44 -64.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.537 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 70.7 m-85 -105.89 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.15 -31.12 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -96.49 157.2 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 27.44 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 12.9 mmt180 -67.79 147.85 52.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.4 HD22 ' CB ' ' A' ' 77' ' ' SER . 43.4 mt -136.38 175.33 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 77.2 mt -144.67 162.25 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 21.4 mt -140.64 119.87 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -135.3 141.12 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -50.01 128.04 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.521 ' CE2' HD12 ' A' ' 63' ' ' ILE . 32.6 t80 -94.14 106.69 18.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -121.07 98.08 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 97' ' ' ASP . 26.9 t70 -83.81 35.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -158.35 157.84 29.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -3.47 12.1 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -44.89 147.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -147.5 146.62 29.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.3 tt -104.57 152.49 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -128.69 162.65 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.86 82.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -22.55 31.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.0 t -46.3 151.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 t -154.41 138.87 16.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -170.25 160.85 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -172.09 166.81 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.0 -170.53 18.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 p -170.9 150.15 3.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -160.0 162.64 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.7 100.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -150.92 165.57 33.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -132.14 127.5 36.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.9 tt -164.33 140.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.49 106.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 p -133.68 -177.78 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 mttt 50.86 54.42 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -121.79 4.3 10.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -97.88 115.23 27.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.29 95.98 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -168.77 129.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -169.62 109.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.05 92.15 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -136.79 143.33 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 22' ' ' ASN . 7.5 p -87.08 -43.23 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.44 ' N ' ' CG1' ' A' ' 21' ' ' VAL . 36.1 p-10 -88.45 120.44 29.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -155.09 174.89 14.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 mt -120.76 128.52 25.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.133 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -4.24 13.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.04 -155.82 13.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 51.5 t80 -173.36 127.77 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.4 m-20 -106.18 -43.9 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.09 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.7 p -48.45 142.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.0 t -71.1 156.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -104.18 -45.33 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -152.39 156.42 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.44 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -38.81 -48.45 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.18 -50.81 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.92 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -68.56 -46.78 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -58.48 -56.68 19.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 29.3 mt -50.82 -52.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.09 -58.19 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -45.56 -46.9 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -56.29 -43.99 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.01 106.83 3.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.566 ' CE1' HG23 ' A' ' 48' ' ' VAL . 95.4 m-85 -58.11 152.77 38.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.948 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.77 158.68 90.77 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.387 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 46' ' ' TYR . 29.5 m -132.23 126.66 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.0 ttm -88.05 140.14 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 51' ' ' LYS . 38.9 mt -120.92 134.13 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LEU . 9.6 mtmt -133.36 155.33 49.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -78.71 110.74 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 89' ' ' ARG . 1.3 t -46.0 -37.33 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.02 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.512 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -163.38 62.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -59.68 147.28 43.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.521 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 58' ' ' GLY . . . -163.76 102.05 0.2 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' GLY . . . -34.84 -40.96 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -90.22 100.72 13.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.06 -45.69 1.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.543 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.303 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -123.3 156.01 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.532 ' CD1' ' CE2' ' A' ' 95' ' ' PHE . 65.1 mt -120.29 146.73 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.83 146.81 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.478 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 56.6 m95 -114.73 -22.39 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -140.27 165.8 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.69 -54.99 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.44 ' N ' HH21 ' A' ' 71' ' ' ARG . 7.4 pt-20 -50.36 -43.55 54.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.84 -42.6 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.9 m -57.02 -48.96 77.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.44 HH21 ' N ' ' A' ' 68' ' ' GLU . 54.6 mtm180 -63.97 -48.74 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.94 -44.95 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.74 -31.78 57.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.532 ' CD2' HD11 ' A' ' 90' ' ' LEU . 25.0 t80 -64.06 -38.47 91.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 75' ' ' ARG . 15.3 mtp-105 -63.1 -49.84 72.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.05 -55.02 10.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.408 ' C ' HD21 ' A' ' 90' ' ' LEU . 8.2 t -51.81 -28.14 14.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 t -81.01 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.44 -28.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.36 -66.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.72 -38.81 10.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.05 -62.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' SER . 25.6 p -73.96 -49.47 24.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' SER . 11.0 m -37.11 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.512 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 75.6 m-85 -95.15 -52.52 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.38 -31.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.37 161.47 13.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.29 18.04 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' SER . 85.3 mtt-85 -62.88 118.92 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.532 HD11 ' CD2' ' A' ' 74' ' ' PHE . 16.2 mt -104.89 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' LYS . 30.2 mt -141.28 162.85 34.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.1 mt -141.08 133.83 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -140.93 162.58 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -77.03 130.8 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.532 ' CE2' ' CD1' ' A' ' 63' ' ' ILE . 11.1 t80 -105.26 119.93 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.9 mt -130.35 111.25 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -57.63 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -66.87 153.66 93.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.61 12.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 62.85 48.14 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -62.84 -43.15 99.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.0 mm -71.27 111.32 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 m -125.59 110.49 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -95.75 146.68 18.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.0 12.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t -77.78 152.07 33.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.8 p -170.93 115.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -168.06 166.39 13.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 p -173.74 171.24 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.33 173.32 44.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -152.49 138.21 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.816 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -174.54 145.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.96 147.11 13.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -163.26 149.05 11.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -161.54 112.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.5 tp -151.09 122.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -162.45 138.89 7.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -150.42 108.79 3.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -117.55 123.54 46.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mt -114.16 81.01 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.8 pp -155.16 161.51 41.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.34 96.58 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -168.35 127.37 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -140.36 167.38 22.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.77 156.96 22.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -63.77 144.64 56.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.32 155.74 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -109.02 38.94 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.4 t -115.26 -175.14 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.4 mt -74.05 130.83 82.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.733 . . . . 0.0 111.101 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 5.47 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -165.2 -162.9 17.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 40' ' ' ILE . 85.5 t80 -173.8 132.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 68.3 m-20 -115.6 -33.45 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.556 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.22 102.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.74 129.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.546 HG11 ' CE1' ' A' ' 74' ' ' PHE . 3.8 t -70.63 157.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -128.98 -35.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.5 144.94 36.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.587 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -43.76 -41.65 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.22 -39.42 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.468 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.5 tp10 -72.42 -32.97 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.46 ' CB ' HG13 ' A' ' 31' ' ' VAL . . . -65.36 -37.67 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.9 t -67.36 -51.04 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -53.43 -54.13 41.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.57 HD11 ' CZ ' ' A' ' 27' ' ' PHE . 28.0 mt -57.16 -46.65 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.37 -60.76 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 55.9 mtp180 -42.41 -36.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.91 -51.23 42.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -58.9 -39.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.39 113.44 3.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.532 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 88.6 m-85 -66.15 153.58 91.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.751 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.77 155.14 93.42 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.346 -0.055 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.6 m -130.1 126.55 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.3 ttm -84.02 146.01 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt -127.37 120.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.47 175.99 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 54' ' ' ALA . . . -102.49 98.25 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.089 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.452 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 3.2 t -37.01 -29.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 85' ' ' PHE . . . -90.69 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . 130.12 46.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.1 -104.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.41 -40.13 3.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.6 48.56 7.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.54 -44.48 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.05 19.94 4.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -175.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.426 ' NH2' ' O ' ' A' ' 63' ' ' ILE . 6.3 ttp85 -119.47 154.33 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.426 ' O ' ' NH2' ' A' ' 62' ' ' ARG . 38.7 mt -126.75 142.01 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.56 156.7 26.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.433 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.0 m95 -122.46 -20.06 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.72 162.04 37.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -43.33 -50.66 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -52.26 -46.51 65.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.403 ' HB3' ' NH2' ' A' ' 62' ' ' ARG . 30.9 mt-10 -66.17 -41.37 90.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 95.4 m -51.57 -54.02 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -62.08 -58.59 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.18 -40.32 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.19 -38.02 27.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 56.0 t80 -60.29 -31.11 69.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 22.4 mtp85 -73.42 -44.81 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.37 -64.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.2 m -47.2 -23.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.1 t -77.58 -48.04 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' ARG . 24.4 mt-30 -60.21 -31.01 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -69.52 -64.99 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -52.99 -37.49 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.3 -22.29 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.6 t -109.31 -66.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' SER . 3.8 p -34.67 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 10.5 m-85 -121.77 -51.01 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.57 -40.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 145.47 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.18 8.56 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.452 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 58.7 mtt85 -53.71 116.86 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 74' ' ' PHE . 27.7 mt -109.33 161.25 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 mt -131.06 161.52 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.15 130.26 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -137.21 156.59 48.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -64.16 134.11 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -109.38 118.65 37.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.7 mt -130.65 120.94 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -103.21 -38.83 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.421 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 3.4 t-20 -90.78 140.17 26.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 53.2 Cg_endo -69.78 174.89 8.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -155.42 171.23 20.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -119.71 145.16 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.434 HG21 ' N ' ' A' ' 103' ' ' SER . 5.0 mp -67.93 137.88 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.434 ' N ' HG21 ' A' ' 102' ' ' ILE . 18.9 m -140.11 176.56 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.49 83.88 0.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 2.74 3.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.3 m -77.96 130.11 36.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.8 m -155.72 158.92 39.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.477 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -109.66 149.99 28.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -154.25 170.8 20.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.18 85.83 0.58 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -89.44 86.6 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -113.3 139.49 48.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.52 120.66 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.82 163.59 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.84 48.06 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' CG1' ' O ' ' A' ' 10' ' ' ILE . 5.1 tt 39.88 49.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.71 128.34 36.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.6 p -161.23 144.25 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -115.38 102.1 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -78.77 5.82 10.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.4 mp -73.45 110.2 7.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.99 132.92 55.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -147.16 149.99 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -144.34 120.52 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -172.77 120.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -133.19 89.21 2.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -102.56 149.5 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -108.76 89.58 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -118.2 -175.86 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.9 mt -72.59 125.45 91.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.32 2.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 159.01 141.75 3.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 89.2 t80 -112.71 97.8 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -83.77 18.31 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.489 ' HA3' ' CZ ' ' A' ' 27' ' ' PHE . . . -78.34 -157.69 10.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.54 144.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 t -98.85 144.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -95.09 -48.2 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -145.3 157.67 44.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.614 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.61 -48.59 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -48.33 -55.59 10.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -56.45 -39.86 73.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.7 -38.77 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.1 t -65.01 -52.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 -54.69 -52.65 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 47.6 mt -56.61 -46.34 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.32 -51.66 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.6 mtt180 -50.99 -37.72 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.62 -41.95 87.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.94 -36.27 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.53 98.58 1.99 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.557 ' CE1' HG22 ' A' ' 48' ' ' VAL . 82.9 m-85 -48.67 153.72 1.35 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.79 163.1 82.79 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.557 HG22 ' CE1' ' A' ' 46' ' ' TYR . 33.7 m -135.49 123.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.4 ttm -87.38 135.77 33.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 51' ' ' LYS . 50.9 mt -116.36 133.43 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' NZ ' ' HB2' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -131.59 158.28 41.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -76.79 118.89 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t -49.32 -48.25 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.534 ' HB1' ' CD1' ' A' ' 85' ' ' PHE . . . -48.96 -42.48 37.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.96 68.95 0.29 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -73.64 -130.34 0.17 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.488 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.11 -82.66 0.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 148.22 62.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -115.46 -48.23 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.59 43.81 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.457 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -87.19 -176.4 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.894 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.457 ' N ' ' HG2' ' A' ' 61' ' ' MET . 11.5 ttm-85 -114.83 157.87 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 42.9 mt -130.78 141.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.66 151.18 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.407 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 63.8 m95 -118.64 -18.42 9.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -148.36 160.51 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -41.99 -46.06 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -53.82 -48.09 70.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -68.2 -48.9 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 86.8 m -40.61 -45.35 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -72.36 -47.06 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.06 -50.01 49.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.45 -33.34 61.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.614 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 72.1 t80 -63.91 -41.76 97.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.95 -44.32 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.02 -62.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.0 m -44.0 -26.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -70.72 -59.09 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -57.78 -36.72 72.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -57.66 -54.98 40.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -35.99 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.02 -58.94 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -68.12 -12.34 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.4 m -88.54 -60.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.534 ' CD1' ' HB1' ' A' ' 54' ' ' ALA . 15.8 m-85 -118.13 -43.79 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.67 -23.7 3.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -88.87 96.26 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' ARG . 10.0 p-10 -55.48 -23.87 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' ASP . 27.1 mtm180 -36.2 152.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.548 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -131.57 172.32 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 29' ' ' GLY . 79.7 mt -137.12 158.85 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -141.34 128.69 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -132.83 162.85 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.0 tptt -75.77 128.4 35.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -101.01 116.33 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.8 mt -125.91 108.83 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -62.97 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -84.26 143.29 41.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.92 13.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.304 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 43.5 ttt85 -40.55 136.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 100' ' ' ARG . 25.8 m80 -165.24 116.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.6 mt -132.14 122.69 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 t -68.99 159.16 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.09 83.68 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 88.23 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.5 t -45.83 128.92 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.3 t -88.06 132.9 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -117.56 172.39 7.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -113.44 -57.21 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.96 170.63 6.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -168.14 168.0 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -172.4 150.82 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.1 178.16 37.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -155.81 141.61 18.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.921 0.391 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 134.06 55.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 tp -133.84 133.86 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -145.65 154.83 42.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -172.09 121.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -109.14 125.87 52.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD13 ' C ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -122.05 18.73 10.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.56 86.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.67 124.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -138.84 160.09 40.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -114.16 81.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.78 139.01 23.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -153.94 149.0 26.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.0 p -92.61 153.25 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -104.87 31.85 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.0 p -97.65 -176.99 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.4 mt -75.58 128.46 83.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.27 3.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.258 . . . . 0.0 112.354 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 163.12 126.23 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -87.61 108.38 19.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -95.56 8.43 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.485 ' O ' ' CD2' ' A' ' 91' ' ' LEU . . . -70.42 -149.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 57.9 t -145.89 132.67 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG11 ' CB ' ' A' ' 37' ' ' ALA . 6.9 t -81.04 150.95 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.23 -46.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -138.57 161.05 38.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.99 -49.5 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -53.96 -43.9 70.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.36 -39.49 94.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.426 ' CB ' HG11 ' A' ' 31' ' ' VAL . . . -60.13 -37.35 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.456 ' CG1' ' HD2' ' A' ' 42' ' ' ARG . 52.4 t -64.23 -50.91 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.51 -56.21 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.1 mt -55.21 -45.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.68 -50.59 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.456 ' HD2' ' CG1' ' A' ' 38' ' ' VAL . 40.7 mtp180 -52.41 -37.4 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.81 -35.34 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.1 mt -74.23 -28.98 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.16 108.48 1.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.535 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -62.74 153.78 77.5 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.721 0.772 . . . . 0.0 110.892 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.3 Cg_endo -69.72 161.43 86.08 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.397 -0.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.475 HG23 ' CE1' ' A' ' 46' ' ' TYR . 17.2 m -134.66 127.57 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 ttm -87.47 130.7 34.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.459 HG21 ' N ' ' A' ' 51' ' ' LYS . 19.9 mt -113.44 136.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 93' ' ' GLU . 7.1 mtmt -138.0 158.68 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.83 106.65 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -41.55 -45.04 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -44.77 -40.71 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.556 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -166.58 59.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.515 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.49 -124.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.1 45.13 9.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.93 34.79 7.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.536 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -84.59 76.21 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.7 30.91 52.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.454 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -69.33 -176.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.454 ' N ' ' HG2' ' A' ' 61' ' ' MET . 11.4 ttm-85 -115.2 154.96 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.459 HD11 ' CE1' ' A' ' 95' ' ' PHE . 55.6 mt -124.44 144.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.7 140.07 50.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.495 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 62.6 m95 -110.59 -17.89 13.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -144.69 158.82 43.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.29 -45.28 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.29 -43.69 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.35 -35.24 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -60.46 -48.54 81.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -66.8 -43.15 84.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -32.62 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.97 -33.04 24.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.565 ' CD2' HD12 ' A' ' 90' ' ' LEU . 9.6 t80 -66.45 -36.79 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -65.35 -50.01 67.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.57 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -47.19 -27.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 m -72.84 -60.01 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -47.13 -39.39 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.15 -69.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 82' ' ' ALA . . . -45.33 -46.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -34.44 -52.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 5.5 m -97.9 -52.15 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 66.4 m -34.54 -39.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.556 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 88.4 m-85 -125.9 -47.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.66 -21.11 2.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.91 158.12 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.73 26.38 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -71.83 123.25 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 74' ' ' PHE . 20.1 mt -112.22 175.56 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 29' ' ' GLY . 36.6 mt -142.62 159.94 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' CD ' ' A' ' 93' ' ' GLU . 7.5 mt -140.53 116.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 51' ' ' LYS . 7.9 mp0 -126.72 151.1 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -55.6 136.37 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.459 ' CE1' HD11 ' A' ' 63' ' ' ILE . 36.3 t80 -108.24 119.59 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mm -122.3 101.75 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -39.34 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -73.01 150.96 90.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.15 7.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.248 . . . . 0.0 112.37 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -62.85 123.87 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -87.49 55.02 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.404 HG21 ' N ' ' A' ' 103' ' ' SER . 6.6 tp -48.7 -42.59 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.404 ' N ' HG21 ' A' ' 102' ' ' ILE . 41.2 p -101.85 124.26 47.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.68 -156.65 8.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 165.26 31.48 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.0 t -112.88 113.46 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t 52.91 44.77 29.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -147.22 108.14 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -103.95 144.53 31.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.06 -172.26 48.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m 39.05 49.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -80.33 90.98 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.6 74.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -121.22 110.18 15.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.98 171.86 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.7 mt -38.28 -46.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 55.52 45.0 25.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -162.79 122.31 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -147.76 139.74 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 14' ' ' LEU . 0.8 OUTLIER -92.45 156.9 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' CD2' ' HB2' ' A' ' 17' ' ' LYS . 8.2 tt -85.83 111.72 20.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.15 88.19 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 15' ' ' LEU . 18.1 mmtp -122.18 135.43 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -107.89 97.96 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.74 123.92 17.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -146.78 140.41 25.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -114.69 124.93 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.27 -45.66 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.1 t -65.87 -175.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 17.5 mt -61.98 123.83 79.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.706 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.27 2.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.08 -168.4 15.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.545 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 84.7 t80 -174.94 114.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -108.81 17.12 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.545 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -81.33 89.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' GLY . 75.7 t -35.83 135.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.402 HG11 ' CB ' ' A' ' 37' ' ' ALA . 3.6 t -81.53 159.35 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -112.08 -37.52 5.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -145.46 175.1 10.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.93 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -50.03 70.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.09 -38.32 76.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.402 ' CB ' HG11 ' A' ' 31' ' ' VAL . . . -63.05 -33.85 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.57 -47.05 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.3 -37.94 82.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.0 mt -72.01 -49.97 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -51.81 -49.84 61.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -52.81 -38.85 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.72 -39.1 84.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.4 mt -70.89 -31.28 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.32 109.45 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.525 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 89.9 m-85 -62.41 153.37 76.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.701 0.763 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.54 ' HB3' ' CE3' ' A' ' 65' ' ' TRP . 53.9 Cg_endo -69.76 155.3 93.33 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.351 -0.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.8 m -130.67 124.96 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 3.3 ttm -84.4 149.59 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.7 mt -130.31 116.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.9 170.86 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.47 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -38.82 -39.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.566 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -48.3 -52.86 19.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.14 65.94 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.43 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -41.51 158.47 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.79 -65.56 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.57 -30.17 10.25 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -117.06 34.19 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.26 -32.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -178.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -114.33 154.06 28.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.0 mt -124.92 144.62 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.84 141.25 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.54 ' CE3' ' HB3' ' A' ' 47' ' ' PRO . 74.3 m95 -108.02 -15.85 14.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.96 158.99 41.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -37.81 -54.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.93 -46.02 31.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.66 -40.21 73.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 m -53.73 -55.74 23.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -62.07 -49.91 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.84 -35.23 68.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.56 -30.24 33.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.544 ' CD2' HD11 ' A' ' 90' ' ' LEU . 4.4 t80 -67.98 -30.31 69.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.3 -42.26 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.63 -39.32 57.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.2 m -69.96 -26.21 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.1 p -78.0 -49.66 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -57.77 -32.12 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.53 -68.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.63 -43.87 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.69 -35.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 85' ' ' PHE . 15.9 t -108.55 -59.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 10.1 m -35.11 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.566 ' CD2' ' HB1' ' A' ' 54' ' ' ALA . 44.6 m-85 -128.52 -43.9 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.51 -36.66 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.93 156.62 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -100.98 15.56 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.446 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 3.0 mmp_? -58.99 129.0 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.544 HD11 ' CD2' ' A' ' 74' ' ' PHE . 11.0 mt -119.13 170.89 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.4 mt -141.92 160.47 40.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 20.6 mt -140.71 121.32 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -130.41 157.28 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -70.68 131.85 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -108.15 120.15 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.4 mt -135.17 117.4 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.34 -64.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.424 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 2.5 t-20 -81.29 141.16 49.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 54.2 Cg_endo -69.75 164.86 32.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -131.51 128.0 38.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' ND1' ' N ' ' A' ' 102' ' ' ILE . 32.0 p80 -99.25 -51.87 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.44 ' N ' ' ND1' ' A' ' 101' ' ' HIS . 11.7 tt -37.98 -48.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.422 ' N ' ' CG2' ' A' ' 102' ' ' ILE . 52.7 p -83.63 -178.45 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.25 152.98 6.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.424 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.7 p -132.79 169.77 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -64.72 -42.92 94.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -162.7 160.46 25.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -75.07 173.65 10.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.05 127.2 2.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -169.36 144.44 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -73.27 151.56 41.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.05 88.09 0.34 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -148.75 142.89 26.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.61 156.84 46.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mt -103.53 89.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -131.34 122.7 26.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -160.3 147.54 16.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -78.03 98.82 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -107.33 140.71 39.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -72.69 -53.94 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 43.13 52.32 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.25 135.35 48.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -104.66 100.03 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.73 103.37 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.071 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -143.6 147.84 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.2 m -129.89 45.36 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.5 52.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.3 p -111.06 132.41 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mt -107.39 130.05 23.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -3.38 11.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.99 167.53 32.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.55 ' CE2' HD11 ' A' ' 40' ' ' ILE . 74.4 t80 -166.06 147.52 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 56.9 m-20 -132.53 -35.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -37.56 94.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG13 ' CZ ' ' A' ' 89' ' ' ARG . 10.8 p -37.59 142.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 32' ' ' LYS . 34.9 t -77.85 156.4 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' C ' ' OD1' ' A' ' 33' ' ' ASP . 0.0 OUTLIER -102.26 -36.98 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 32' ' ' LYS . 2.8 m-20 -157.18 163.89 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -51.5 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -45.15 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -65.17 -33.87 77.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -67.23 -31.42 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 69.3 t -69.43 -46.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -62.54 -55.54 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 27' ' ' PHE . 74.3 mt -49.89 -45.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 46' ' ' TYR . . . -57.76 -55.2 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -50.46 -27.77 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.57 -29.94 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.3 mt -79.73 -32.34 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 102.06 2.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.527 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 98.6 m-85 -56.44 152.95 22.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.75 159.82 89.03 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.499 HG22 ' CE1' ' A' ' 46' ' ' TYR . 34.3 m -130.04 122.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.419 ' HG3' ' CE ' ' A' ' 61' ' ' MET . 23.9 ttm -85.27 128.89 34.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.3 mt -114.94 139.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' A' ' 91' ' ' LEU . 12.4 mtmm -142.6 171.8 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.87 107.5 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.415 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -44.42 -30.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.5 75.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.546 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -155.22 82.48 0.16 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.7 -112.55 0.39 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.43 -55.61 1.73 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.93 13.34 2.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -124.1 105.17 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.3 -34.27 5.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' A' ' 61' ' ' MET . 1.5 ppp? -58.88 -173.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -141.72 159.42 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.523 HD11 ' CD2' ' A' ' 95' ' ' PHE . 76.2 mt -124.37 155.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.21 153.67 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TRP . . . . . 0.517 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 45.8 m95 -121.02 -7.92 9.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -147.18 175.5 10.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -59.43 -48.95 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.96 -43.9 86.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.9 -43.28 99.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 44.8 m -49.52 -52.54 28.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.19 -61.73 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -46.51 -37.35 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.06 49.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.492 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 2.7 t80 -74.69 -35.42 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -69.29 -42.26 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.47 -54.22 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.444 ' CB ' HD22 ' A' ' 90' ' ' LEU . 48.6 m -55.3 -33.29 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.5 p -70.27 -52.17 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -55.88 -35.18 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' SER . 66.0 mm-40 -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.43 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.62 72.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 t -96.17 -27.78 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 13.8 m -66.06 -68.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.546 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 67.7 m-85 -98.92 -40.68 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.23 -35.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.4 155.01 16.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.27 32.1 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.465 ' CZ ' HG13 ' A' ' 30' ' ' VAL . 9.9 mmm180 -71.24 130.61 41.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.444 HD22 ' CB ' ' A' ' 77' ' ' SER . 22.9 mt -118.62 179.24 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 51' ' ' LYS . 25.7 mt -146.41 161.68 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 53.5 mt -143.91 123.64 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -133.31 154.87 50.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -68.56 128.02 35.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.523 ' CD2' HD11 ' A' ' 63' ' ' ILE . 10.9 t80 -102.33 111.8 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -125.35 117.99 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -96.29 -48.44 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -101.23 156.15 35.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.89 17.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.38 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 4.1 mpt_? -97.53 -56.59 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 100' ' ' ARG . 16.2 p80 40.57 43.15 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 tt -139.66 154.39 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.2 m -169.11 -177.35 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.7 -63.96 3.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -43.74 2.48 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.8 t -77.78 96.74 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.1 m -58.63 167.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' A' ' 40' ' ' ILE . 52.8 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.905 0.384 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -107.97 10.02 28.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' O ' ' CG2' ' A' ' 30' ' ' VAL . . . -66.99 -133.71 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 59.8 t -158.83 143.8 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 111.112 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.914 HG11 ' HB2' ' A' ' 37' ' ' ALA . 11.4 t -96.75 138.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -92.84 -43.05 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -143.05 161.25 38.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.47 -50.09 23.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -49.77 -47.93 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -63.76 -35.12 79.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.914 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -61.93 -32.83 73.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' A' ' 70' ' ' THR . 94.9 t -72.24 -46.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -57.63 -49.38 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.561 HG21 ' CD2' ' A' ' 27' ' ' PHE . 75.2 mt -61.55 -47.1 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -52.28 -57.18 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -45.6 -44.88 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.77 -40.06 91.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 27' ' ' PHE . 77.4 mt -72.27 -34.01 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.9 110.95 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 97.6 m-85 -61.98 152.96 75.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.77 160.69 87.63 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.376 -0.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 41' ' ' ALA . 27.6 m -133.82 123.9 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.491 ' HA ' HG23 ' A' ' 63' ' ' ILE . 36.6 ttm -81.55 140.32 34.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.95 118.57 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -123.38 169.87 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -89.69 115.74 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -48.11 -48.12 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.691 ' HB1' ' CG ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.64 HD13 ' CD2' ' A' ' 95' ' ' PHE . 30.9 mt -120.91 146.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.72 150.43 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.487 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 49.3 m95 -120.16 -16.53 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.8 m-20 -148.95 153.6 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' ASP . 7.4 p-10 -35.97 -45.04 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.4 -42.21 92.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.402 ' HB ' HG22 ' A' ' 38' ' ' VAL . 31.4 m -52.82 -38.14 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.11 -55.68 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.37 -40.01 58.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.12 -32.94 42.15 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.663 ' CD2' HD12 ' A' ' 90' ' ' LEU . 7.7 t80 -68.08 -42.9 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -56.76 -42.62 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.1 mt -79.5 -55.19 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.0 m -48.43 -44.06 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -66.72 -44.97 80.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.52 -35.0 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.47 -55.1 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -56.69 -30.35 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.19 -15.77 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 t -113.07 -31.44 6.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -68.15 -62.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.691 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 75.1 m-85 -102.65 -25.04 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.14 -41.35 1.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 81' ' ' ALA . 2.4 m-20 -88.12 166.98 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.01 17.65 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 mmt-85 -58.79 120.88 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.663 HD12 ' CD2' ' A' ' 74' ' ' PHE . 9.9 mt -110.25 177.53 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' LYS . 23.7 mt -143.49 159.1 43.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 44' ' ' ILE . 11.1 mt -141.76 117.86 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -125.18 158.34 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HD3' HG22 ' A' ' 44' ' ' ILE . 15.5 tptm -74.25 128.59 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.64 ' CD2' HD13 ' A' ' 63' ' ' ILE . 4.8 t80 -105.26 119.87 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.614 ' CE2' HD13 ' A' ' 40' ' ' ILE . 57.1 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' VAL . 80.1 m-20 -130.59 -34.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -40.29 96.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.518 HG21 ' CB ' ' A' ' 89' ' ' ARG . 13.3 p -43.41 137.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.743 HG11 ' HB2' ' A' ' 37' ' ' ALA . 43.6 t -71.7 154.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 31' ' ' VAL . 4.7 mmpt? -104.48 -35.37 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.19 -51.25 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.33 -43.51 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.8 -39.05 90.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.743 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.56 -32.61 74.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 42' ' ' ARG . 56.1 t -67.52 -49.56 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.07 -52.19 66.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.614 HD13 ' CE2' ' A' ' 27' ' ' PHE . 90.3 mt -55.58 -48.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -54.09 -54.18 42.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HD2' HG12 ' A' ' 38' ' ' VAL . 30.1 mtp180 -48.44 -36.92 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -68.61 -44.0 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.8 -38.86 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.63 110.97 3.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.432 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.553 ' HA ' HG13 ' A' ' 48' ' ' VAL . 96.5 m-85 -64.19 153.43 85.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.76 157.03 92.48 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.351 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 46' ' ' TYR . 22.4 m -131.92 126.51 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.6 ttm -85.1 146.2 27.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mt -124.45 120.76 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 176.16 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.576 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -99.41 112.18 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 2.0 t -46.76 -48.37 20.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB1' ' CG ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.409 HD13 ' CE2' ' A' ' 95' ' ' PHE . 56.6 mt -128.77 147.1 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.62 153.4 43.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.507 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -119.86 -16.95 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.1 162.97 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -43.79 -50.7 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 11.1 pt-20 -51.62 -46.25 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 29.9 mt-10 -68.04 -44.9 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.3 m -48.85 -55.89 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -60.3 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.83 -36.55 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.57 -33.15 28.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 90' ' ' LEU . 1.8 t80 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 14.3 mtp-105 -66.9 -32.99 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.22 -58.49 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.3 p -51.06 -23.78 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -71.51 -49.86 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -56.88 -39.5 74.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.79 -48.23 75.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.576 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -71.83 -31.22 66.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.7 86.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -92.01 -48.43 6.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 m -47.76 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.583 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 86.9 m-85 -90.06 -50.77 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.78 -34.71 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.434 ' CG ' ' HG3' ' A' ' 89' ' ' ARG . 4.4 t0 -99.48 159.8 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -95.76 -2.42 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.518 ' CB ' HG21 ' A' ' 30' ' ' VAL . 72.1 mtt180 -39.24 109.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.691 HD12 ' CD2' ' A' ' 74' ' ' PHE . 33.5 mt -102.72 175.81 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 mt -143.16 159.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.7 mt -140.44 124.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -132.26 150.06 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -61.28 133.1 55.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CE2' HD13 ' A' ' 63' ' ' ILE . 33.3 t80 -106.23 108.98 20.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.1 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.8 -1.13 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -152.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -142.47 146.57 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.944 HG11 ' HB2' ' A' ' 37' ' ' ALA . 34.9 t -90.62 146.44 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -102.39 -47.9 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.91 156.87 44.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -40.65 -46.4 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.74 -48.39 75.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.36 -43.41 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.944 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -57.37 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.479 HG12 ' HD2' ' A' ' 42' ' ' ARG . 97.8 t -62.97 -48.7 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -59.55 -46.02 90.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.8 mt -64.16 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.844 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -63.43 -54.11 41.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HD2' HG12 ' A' ' 38' ' ' VAL . 6.5 mtp-105 -49.22 -38.67 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -63.1 -45.17 93.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -65.98 -42.75 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.88 111.71 3.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.54 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 81.2 m-85 -64.24 154.33 83.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.71 158.25 91.05 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.379 -0.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.844 HG21 ' HB1' ' A' ' 41' ' ' ALA . 34.6 m -134.47 129.0 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.412 ' CG ' HG12 ' A' ' 63' ' ' ILE . 7.3 ttp -91.06 149.04 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.3 mt -126.15 120.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.78 166.51 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -88.49 110.75 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -45.12 -46.11 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.67 HD13 ' CE1' ' A' ' 95' ' ' PHE . 58.5 mt -124.02 157.61 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.492 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -134.3 153.12 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.53 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 47.0 m95 -119.96 -29.03 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -133.28 158.47 42.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -41.92 -47.62 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.75 -39.32 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.63 -40.76 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 38' ' ' VAL . 86.5 m -56.21 -48.55 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.19 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -66.16 -51.71 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.8 -40.62 72.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.22 -27.55 57.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.498 ' CD2' HD12 ' A' ' 90' ' ' LEU . 16.2 t80 -70.62 -34.88 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 14.6 mtp-105 -67.65 -43.36 80.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.86 -52.44 11.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.4 m -55.49 -32.56 62.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.6 t -73.9 -62.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -46.52 -30.57 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.17 -61.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.2 -35.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.65 74.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -87.2 -12.28 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -91.54 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -101.39 -44.21 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.95 -31.8 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -91.33 143.88 26.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -94.35 4.77 53.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -55.42 126.99 27.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 74' ' ' PHE . 10.1 mt -115.08 172.21 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt -136.82 153.92 50.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.5 119.14 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -127.49 146.57 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -57.46 130.25 45.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.67 ' CE1' HD13 ' A' ' 63' ' ' ILE . 50.6 t80 -101.89 123.11 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.4 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 66.7 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -106.38 -36.73 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.585 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.69 100.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 90' ' ' LEU . 14.1 p -48.13 136.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.07 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.655 HG11 ' HB2' ' A' ' 37' ' ' ALA . 4.1 t -68.65 161.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -108.41 -42.07 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.16 163.97 38.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.51 -51.37 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -49.79 -51.24 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 7.2 tp10 -60.63 -38.8 85.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.655 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -58.14 -37.96 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 67' ' ' ASP . 94.9 t -67.91 -42.01 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -63.87 -57.43 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.527 HG21 ' CE2' ' A' ' 27' ' ' PHE . 59.9 mt -51.78 -49.35 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.694 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -56.66 -42.25 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -59.76 -33.1 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.68 -42.67 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 94' ' ' LYS . 69.5 mt -63.53 -35.45 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.05 100.67 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.668 ' CD1' HG22 ' A' ' 48' ' ' VAL . 77.3 m-85 -54.36 154.69 8.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.914 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.2 Cg_endo -69.72 163.88 80.57 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 -1.779 . . . . 0.0 112.337 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.694 HG21 ' HB1' ' A' ' 41' ' ' ALA . 15.6 m -135.86 129.5 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 ttm -90.08 138.08 31.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.5 mt -120.61 136.86 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.186 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -136.32 173.77 11.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -93.66 110.35 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.426 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -45.26 -46.82 12.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.904 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 95' ' ' PHE . 67.3 mt -125.1 150.49 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.45 155.65 38.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.7 m95 -122.25 -13.66 8.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.66 179.0 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' HB2' HG11 ' A' ' 38' ' ' VAL . 5.6 p-10 -59.05 -45.49 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.66 -46.91 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.89 -37.66 86.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 m -59.45 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 5.1 mtm105 -62.06 -46.19 90.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.83 -55.07 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.26 -29.27 73.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.506 ' CD2' HD12 ' A' ' 90' ' ' LEU . 54.1 t80 -68.41 -39.92 81.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -68.4 -41.05 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' GLU . 29.9 mt -73.09 -62.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.8 t -48.59 -34.38 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -65.58 -55.69 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -52.31 -39.32 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 76' ' ' LEU . 1.1 mp0 -58.76 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -49.21 -37.08 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.1 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' SER . 16.2 t -102.92 -55.77 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' SER . 36.0 m -36.11 -56.82 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -108.92 -48.61 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.14 -29.79 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 81' ' ' ALA . 3.4 m-20 -102.31 167.85 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.802 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -108.76 16.91 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.506 ' HD2' HG21 ' A' ' 30' ' ' VAL . 52.0 mmt-85 -58.59 127.51 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.5 mt -118.72 174.79 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 20.5 mt -140.32 165.11 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.1 mt -147.37 127.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -137.64 157.31 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 15.1 tptm -68.76 129.92 41.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 63' ' ' ILE . 3.8 t80 -103.12 122.64 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 24.3 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -88.99 51.69 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.597 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -122.45 90.82 0.45 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.611 HG11 ' HD2' ' A' ' 89' ' ' ARG . 92.7 t -35.26 135.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.806 HG11 ' HB2' ' A' ' 37' ' ' ALA . 5.2 t -86.57 145.68 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -96.66 -42.35 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -145.61 157.32 43.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.28 -50.41 21.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -46.06 -52.16 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.6 tp10 -61.31 -36.45 80.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.806 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -61.64 -38.5 87.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.2 -52.53 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -55.15 -48.16 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.512 HD13 ' CE2' ' A' ' 27' ' ' PHE . 66.8 mt -60.51 -49.58 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.53 -55.02 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -47.43 -41.03 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -64.25 -43.77 93.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 27' ' ' PHE . 63.3 mt -64.77 -42.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.66 99.6 2.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 87.1 m-85 -52.69 153.72 5.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.696 0.76 . . . . 0.0 110.926 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.2 Cg_endo -69.82 153.59 93.17 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.37 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 46' ' ' TYR . 26.1 m -128.72 125.57 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.2 ttm -84.99 150.7 24.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 91' ' ' LEU . 26.2 mt -132.72 115.36 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -114.8 166.05 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.65 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -87.74 107.67 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -42.33 -37.02 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.598 ' O ' ' CD1' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.704 HD13 ' CE2' ' A' ' 95' ' ' PHE . 58.7 mt -121.05 144.81 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.84 146.96 43.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.526 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 60.0 m95 -113.73 -18.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -147.32 164.83 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -45.21 -49.88 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -51.5 -43.56 62.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.65 -36.27 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -58.46 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -70.8 -51.55 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -34.33 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.45 -30.29 37.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.545 ' CD2' HD12 ' A' ' 90' ' ' LEU . 10.9 t80 -71.94 -32.66 67.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.58 -47.63 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.61 -35.81 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.466 ' O ' HD21 ' A' ' 90' ' ' LEU . 32.5 m -69.1 -28.36 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 p -75.38 -53.04 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -52.48 -33.35 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.86 -59.47 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -61.03 -35.41 76.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.88 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.9 t -89.66 -55.97 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 42.8 t -35.41 -68.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 78.5 m-85 -95.06 -49.35 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.6 -34.48 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -100.9 155.86 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -99.27 16.72 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HD2' HG11 ' A' ' 30' ' ' VAL . 12.6 mmm180 -58.87 123.45 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 74' ' ' PHE . 12.3 mt -115.65 175.64 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' ILE . 49.9 mt -143.89 166.57 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.1 mt -145.62 117.31 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 15.9 mp0 -127.71 153.38 46.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -64.49 136.31 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.704 ' CE2' HD13 ' A' ' 63' ' ' ILE . 31.8 t80 -111.29 120.37 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.2 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.696 ' CE2' HG21 ' A' ' 40' ' ' ILE . 57.1 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 32.0 p-10 -81.9 -34.87 29.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.95 105.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 90' ' ' LEU . 6.7 p -63.3 137.71 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.3 t -74.31 160.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' HG12 ' A' ' 31' ' ' VAL . 8.7 mmtp -116.38 -36.07 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ALA . 24.3 p-10 -153.02 149.41 28.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -37.97 -48.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.62 -54.44 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.33 -39.0 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -57.99 -38.94 77.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.055 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.54 HG12 ' HD2' ' A' ' 42' ' ' ARG . 50.3 t -67.14 -51.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtt85 -53.75 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.696 HG21 ' CE2' ' A' ' 27' ' ' PHE . 83.9 mt -65.68 -52.74 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -48.32 -48.0 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.54 ' HD2' HG12 ' A' ' 38' ' ' VAL . 37.0 mtp180 -56.44 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.82 -46.51 71.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.34 -35.13 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.2 106.7 2.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 97.4 m-85 -62.17 153.02 76.61 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.682 0.753 . . . . 0.0 110.927 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 163.11 82.65 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.354 -0.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG21 ' HB1' ' A' ' 41' ' ' ALA . 33.7 m -136.72 123.03 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.0 ttm -84.09 135.4 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.577 HG23 ' O ' ' A' ' 91' ' ' LEU . 59.2 mt -114.96 135.52 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 1.3 mtmp? -134.52 160.68 37.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.02 114.49 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -44.13 -45.59 8.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.7 ttm-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.765 0.316 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.7 HD13 ' CE1' ' A' ' 95' ' ' PHE . 52.4 mt -126.7 140.56 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.96 154.49 31.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.518 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.3 m95 -120.9 -24.51 5.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -141.07 162.94 34.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.79 -54.13 4.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.22 -44.17 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.88 -45.08 71.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.8 m -48.17 -53.62 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.77 -61.19 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.21 -33.24 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.63 24.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CD2' HD12 ' A' ' 90' ' ' LEU . 12.9 t80 -70.0 -32.57 70.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.382 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -67.78 -46.56 71.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' SER . 24.2 mt -74.32 -62.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' LEU . 12.1 t -37.45 -48.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.404 ' HB2' HD11 ' A' ' 90' ' ' LEU . 22.6 t -61.69 -59.74 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -46.27 -35.88 5.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.53 -51.43 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 87' ' ' ASP . . . -51.86 -34.08 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.23 -26.87 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -91.77 -29.45 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.0 m -75.67 -74.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -95.35 -47.44 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.03 -20.92 3.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 63.6 m-20 -91.84 117.4 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.35 -9.07 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HB3' HG21 ' A' ' 30' ' ' VAL . 13.6 mmm-85 -47.68 145.54 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.566 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.9 mt -128.83 171.98 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 50' ' ' ILE . 26.7 mt -136.86 174.41 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.7 mt -155.26 123.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.57 146.33 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -53.11 136.49 35.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.7 ' CE1' HD13 ' A' ' 63' ' ' ILE . 40.0 t80 -106.7 117.86 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mm . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 58.4 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' GLY . 2.2 m-20 -114.21 -38.87 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.592 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -36.15 97.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 90' ' ' LEU . 13.5 p -46.26 142.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 37' ' ' ALA . 60.9 t -74.8 151.54 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -99.68 -35.59 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -158.18 153.54 25.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -39.34 -53.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.59 -41.39 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.51 -35.18 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -64.64 -33.73 76.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.526 HG22 ' HB ' ' A' ' 70' ' ' THR . 91.2 t -70.74 -41.89 77.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -62.34 -57.15 12.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.579 HG21 ' CE2' ' A' ' 27' ' ' PHE . 28.4 mt -55.86 -40.02 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -59.33 -55.18 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -48.57 -40.23 26.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.57 -47.98 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.8 mt -61.46 -41.12 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.48 95.07 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.542 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 78.7 m-85 -48.15 154.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.952 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.4 Cg_endo -69.73 163.31 82.07 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.362 -0.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' HA ' ' A' ' 46' ' ' TYR . 28.1 m -137.94 123.62 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.581 ' HA ' HG23 ' A' ' 63' ' ' ILE . 24.5 ttm -81.08 140.69 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.11 130.22 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' NZ ' ' CD ' ' A' ' 93' ' ' GLU . 6.3 mtmt -129.52 174.9 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -100.16 108.63 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -45.07 -46.48 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.581 HG23 ' HA ' ' A' ' 49' ' ' MET . 51.0 mt -119.55 155.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.455 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -128.15 150.54 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 38.9 m95 -119.03 -10.54 9.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -152.85 163.03 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -42.99 -55.03 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.14 -45.65 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.45 -43.91 76.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 38' ' ' VAL . 33.5 m -49.95 -52.83 30.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.1 -62.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -43.77 -46.77 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.93 -28.63 64.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 90' ' ' LEU . 38.0 t80 -69.82 -39.05 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -64.67 -47.39 78.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' SER . 10.2 mt -68.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.425 ' O ' HD21 ' A' ' 90' ' ' LEU . 57.4 m -44.74 -22.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 42.6 t -80.59 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -49.19 -31.8 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -67.03 -51.91 48.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.72 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -59.88 -25.11 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.42 -20.04 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -99.65 -6.7 26.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -102.97 -58.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -104.07 -47.3 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.1 -32.18 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 142.68 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.754 0.312 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -101.1 21.75 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.605 ' HB3' HG21 ' A' ' 30' ' ' VAL . 49.3 mtt180 -69.48 125.8 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.1 mt -111.45 166.03 11.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -132.96 160.31 37.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 31' ' ' VAL . 14.7 mt -141.23 124.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.438 ' CD ' ' NZ ' ' A' ' 51' ' ' LYS . 60.1 mt-10 -133.79 158.07 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -65.73 130.0 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 63' ' ' ILE . 61.6 t80 -102.24 115.44 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.61 ' CD2' HG21 ' A' ' 40' ' ' ILE . 50.3 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p-10 -125.44 -33.53 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.56 92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 89' ' ' ARG . 8.1 p -39.2 135.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.816 HG11 ' HB2' ' A' ' 37' ' ' ALA . 24.4 t -68.26 159.27 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.498 ' N ' HG12 ' A' ' 31' ' ' VAL . 9.0 mmpt? -111.41 -41.04 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 3.1 m-20 -154.74 156.25 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.607 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -41.68 -46.82 3.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.48 -43.28 79.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.23 -36.86 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.816 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.41 -33.1 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.577 ' HA ' HG21 ' A' ' 70' ' ' THR . 53.3 t -69.03 -49.24 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -57.88 -57.59 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 27' ' ' PHE . 29.8 mt -51.01 -49.8 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.651 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.82 -62.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HD2' HG12 ' A' ' 38' ' ' VAL . 13.0 mtp85 -40.77 -40.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.26 -39.71 92.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.469 HD12 HG22 ' A' ' 92' ' ' ILE . 50.2 mt -69.56 -31.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 105.98 1.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.562 ' HA ' HG13 ' A' ' 48' ' ' VAL . 91.8 m-85 -59.92 153.73 52.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.76 156.56 92.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.319 -0.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.651 HG21 ' HB1' ' A' ' 41' ' ' ALA . 23.0 m -132.22 124.91 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.6 ttm -81.43 151.06 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.96 118.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.18 173.94 6.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -96.96 108.54 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -43.01 -47.87 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.574 HD13 ' CE1' ' A' ' 95' ' ' PHE . 70.1 mt -122.01 146.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.7 148.46 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -115.44 -14.68 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.3 161.6 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 40.9 t0 -40.98 -58.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 15.9 pt-20 -44.79 -44.39 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 25.6 mt-10 -70.57 -43.53 69.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.577 HG21 ' HA ' ' A' ' 38' ' ' VAL . 37.2 m -51.82 -48.39 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -66.74 -51.5 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.52 -34.81 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.06 -38.41 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 41.3 t80 -63.27 -30.5 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -72.13 -52.28 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.46 -57.49 6.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.7 m -50.02 -24.66 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 t -75.13 -56.54 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.43 -27.35 9.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -68.59 -66.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.661 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -52.68 -25.08 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -83.99 -43.24 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -46.29 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -93.81 -53.16 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 152.01 -25.17 0.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 81' ' ' ALA . 16.4 m-20 -107.13 169.16 8.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -109.95 9.6 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.526 ' HB3' HG21 ' A' ' 30' ' ' VAL . 48.5 mmt-85 -55.36 118.6 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.7 mt -109.28 176.64 5.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.411 ' C ' HG13 ' A' ' 92' ' ' ILE . 16.3 mt -139.27 174.44 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 44' ' ' ILE . 50.7 mt -154.7 120.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.68 150.05 52.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -56.2 132.16 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 63' ' ' ILE . 75.7 t80 -106.07 114.87 29.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.907 ' CE2' HG21 ' A' ' 40' ' ' ILE . 49.3 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.14 -29.37 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -38.29 103.63 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG11 ' HE ' ' A' ' 89' ' ' ARG . 61.3 t -52.35 138.15 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.724 HG11 ' HB2' ' A' ' 37' ' ' ALA . 11.5 t -78.12 149.45 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' C ' ' A' ' 31' ' ' VAL . 7.4 mmpt? -101.29 -40.13 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -152.62 152.9 32.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.549 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.1 -49.38 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -52.19 -48.67 64.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.44 -39.25 86.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.724 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -56.55 -40.81 75.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.63 -55.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -52.47 55.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.907 HG21 ' CE2' ' A' ' 27' ' ' PHE . 61.0 mt -56.33 -44.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -61.68 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -41.61 -35.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.72 -53.73 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 27' ' ' PHE . 69.0 mt -55.07 -47.57 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.91 105.55 2.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -60.16 153.75 55.27 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 159.38 89.87 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.361 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 46' ' ' TYR . 22.2 m -131.84 125.77 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.5 ttm -89.01 138.74 31.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 91' ' ' LEU . 19.3 mt -117.48 134.18 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' LEU . 5.7 mtmt -133.41 152.89 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -80.09 114.05 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.091 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -46.51 -49.77 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.616 HD13 ' CE2' ' A' ' 95' ' ' PHE . 30.3 mt -128.5 146.97 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.85 155.47 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.509 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.9 m95 -122.01 -25.8 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.53 165.3 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.67 -49.18 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.63 -45.32 70.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.55 -41.2 89.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.1 m -55.73 -54.87 39.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -59.37 -55.2 37.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -37.01 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.98 -27.04 59.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.632 ' CD1' HD12 ' A' ' 90' ' ' LEU . 21.3 t80 -73.65 -33.66 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -70.62 -42.92 70.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.88 -62.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.5 m -50.73 -23.47 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -70.56 -56.55 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -51.81 -40.41 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.48 -70.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.729 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.73 -35.25 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.22 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 48.3 t -103.25 -62.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 88.0 p -34.85 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.527 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 97.9 m-85 -106.89 -51.0 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.95 -30.75 1.9 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -100.91 145.1 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -90.67 16.45 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.44 ' HE ' HG11 ' A' ' 30' ' ' VAL . 24.9 mmm-85 -63.42 128.04 34.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.632 HD12 ' CD1' ' A' ' 74' ' ' PHE . 16.6 mt -117.53 174.89 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 50' ' ' ILE . 32.0 mt -144.73 158.58 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.457 HD11 HG21 ' A' ' 31' ' ' VAL . 26.3 mt -139.68 127.07 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -134.67 156.81 48.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HD3' HG22 ' A' ' 44' ' ' ILE . 23.4 tptp -68.2 132.01 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.616 ' CE2' HD13 ' A' ' 63' ' ' ILE . 6.8 t80 -103.71 115.15 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 56.9 t80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -128.93 -31.42 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.569 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.57 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 89' ' ' ARG . 9.0 p -44.47 140.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.649 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.4 t -83.28 161.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' N ' HG12 ' A' ' 31' ' ' VAL . 31.0 mmtt -110.62 -44.75 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.26 161.65 38.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.1 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.57 -43.25 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.4 -36.17 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.649 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -66.22 -30.09 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.38 -41.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -65.51 -55.29 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 27' ' ' PHE . 60.0 mt -53.55 -46.35 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.13 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.1 mtp-105 -44.96 -44.0 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.74 -43.49 96.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mt -62.07 -41.83 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.19 94.92 2.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.539 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 82.3 m-85 -48.96 154.08 1.36 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 110.936 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.79 162.54 84.0 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.341 -0.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 46' ' ' TYR . 35.3 m -136.28 123.11 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.51 ' HA ' HG23 ' A' ' 63' ' ' ILE . 30.0 ttm -84.03 128.52 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.77 130.88 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -131.72 179.32 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.44 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.2 t -54.21 -44.35 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.522 HD13 ' CE2' ' A' ' 95' ' ' PHE . 41.4 mt -111.95 148.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.26 146.14 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.445 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 61.8 m95 -114.93 -28.19 7.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -134.22 166.35 22.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -48.3 -56.48 7.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.09 -34.47 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -73.12 -45.85 54.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.41 HG21 ' C ' ' A' ' 37' ' ' ALA . 54.2 m -49.75 -46.75 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -66.78 -58.39 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -45.51 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.51 -30.09 54.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.4 t80 -69.03 -38.05 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -62.94 -42.82 99.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.96 -63.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.419 ' C ' HD21 ' A' ' 90' ' ' LEU . 9.3 m -40.57 -44.31 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.7 t -61.17 -48.67 80.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -60.4 -35.51 75.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.81 -52.19 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.528 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -50.92 -41.02 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -54.39 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -52.4 -40.08 61.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -55.29 -73.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -99.4 -49.58 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 152.8 -42.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -84.71 160.31 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -108.75 21.17 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.5 ' HB3' HG21 ' A' ' 30' ' ' VAL . 89.9 mtt-85 -66.26 121.78 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 74' ' ' PHE . 14.7 mt -106.41 168.32 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.0 mt -135.46 166.42 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.4 mt -149.22 121.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -129.19 154.2 46.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -67.03 130.45 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.522 ' CE2' HD13 ' A' ' 63' ' ' ILE . 3.5 t80 -100.49 120.14 39.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 16.7 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLY . 64.5 m-20 -41.86 -41.55 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.6 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.16 109.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.2 p -63.79 130.88 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.775 HG11 ' HB2' ' A' ' 37' ' ' ALA . 19.4 t -65.89 157.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -103.74 -42.08 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.15 159.48 44.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.17 -51.19 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -51.57 -41.88 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' HD12 ' A' ' 40' ' ' ILE . 31.1 tt0 -70.57 -33.68 71.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.775 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -65.04 -34.55 78.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 70' ' ' THR . 77.4 t -67.95 -49.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -60.69 -47.92 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.543 HG21 ' CD2' ' A' ' 27' ' ' PHE . 96.8 mt -63.83 -40.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.569 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -61.35 -47.24 86.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -55.33 -36.94 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.29 -39.72 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 27' ' ' PHE . 39.0 mt -68.04 -33.78 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.73 111.89 3.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CD1' HG22 ' A' ' 48' ' ' VAL . 87.9 m-85 -68.43 153.69 95.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.907 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.79 154.62 93.42 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 -1.822 . . . . 0.0 112.353 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.569 HG21 ' HB1' ' A' ' 41' ' ' ALA . 29.4 m -122.98 123.05 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.509 ' HA ' HG23 ' A' ' 63' ' ' ILE . 47.8 ttm -79.89 130.12 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -117.65 114.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 169.44 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.656 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -87.88 114.5 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.421 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 2.6 t -45.85 -39.58 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.509 HG23 ' HA ' ' A' ' 49' ' ' MET . 50.2 mt -122.24 143.85 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.96 149.23 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.534 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.5 m95 -115.31 -29.41 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.26 167.34 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.49 -56.4 7.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.99 -37.81 21.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.35 -42.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.474 HG21 ' HA ' ' A' ' 38' ' ' VAL . 58.8 m -50.49 -53.02 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.423 ' HE ' HG21 ' A' ' 38' ' ' VAL . 98.2 mtt180 -60.19 -58.36 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -50.56 -36.95 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.79 -36.37 32.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.611 ' CD2' HD12 ' A' ' 90' ' ' LEU . 26.7 t80 -66.6 -39.94 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -62.79 -49.46 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -71.53 -62.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -46.67 -21.95 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -76.57 -61.27 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.49 -30.55 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.41 -60.79 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.656 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -57.68 -27.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' SER . 13.6 t -102.83 -56.32 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 45.9 t -35.11 -48.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 90.6 m-85 -115.66 -50.62 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.07 -19.79 2.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.697 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -113.86 136.93 52.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -84.23 -11.53 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 35.7 mtt85 -43.5 116.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.611 HD12 ' CD2' ' A' ' 74' ' ' PHE . 11.8 mt -100.23 173.95 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 50.2 mt -140.72 161.76 37.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.491 HG22 HD12 ' A' ' 44' ' ' ILE . 38.3 mt -143.63 126.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -138.54 142.41 39.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -56.48 129.72 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.453 ' CE2' HD13 ' A' ' 63' ' ' ILE . 18.9 t80 -105.97 121.46 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CE2' HD13 ' A' ' 40' ' ' ILE . 35.4 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.97 -31.47 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -41.22 101.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.6 p -52.95 133.09 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 111.149 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 32' ' ' LYS . 11.5 t -66.97 164.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.2 mmpt? -112.37 -34.81 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 2.3 m-20 -162.44 164.34 27.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB1' ' HG2' ' A' ' 71' ' ' ARG . . . -44.92 -51.27 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.04 -52.86 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -60.06 -40.21 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -56.73 -35.72 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.434 ' HA ' HG21 ' A' ' 70' ' ' THR . 76.1 t -72.48 -46.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 -58.76 -52.91 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.599 HD13 ' CE2' ' A' ' 27' ' ' PHE . 75.2 mt -60.54 -47.24 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.641 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -54.21 -53.86 47.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -49.97 -40.05 42.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -64.0 -42.73 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.5 -39.67 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.17 102.74 2.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 88.4 m-85 -56.14 153.93 16.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.944 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.82 158.76 90.84 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.334 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.641 HG21 ' HB1' ' A' ' 41' ' ' ALA . 26.8 m -132.62 124.17 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.672 ' HA ' HG23 ' A' ' 63' ' ' ILE . 25.7 ttm -83.29 135.01 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.1 mt -117.19 119.35 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 175.7 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -95.42 118.22 31.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -53.23 -32.87 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.856 0.36 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.672 HG23 ' HA ' ' A' ' 49' ' ' MET . 19.7 mt -114.35 148.18 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.95 152.32 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.503 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 54.6 m95 -120.38 -15.28 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -151.75 168.56 24.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.47 -45.36 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.68 -47.54 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.36 -33.99 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.434 HG21 ' HA ' ' A' ' 38' ' ' VAL . 53.9 m -56.63 -56.35 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.574 ' HG2' ' HB1' ' A' ' 34' ' ' ALA . 57.1 mtt-85 -61.86 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -46.23 56.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.92 -28.21 65.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.9 t80 -72.28 -39.04 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -64.09 -45.31 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.42 -56.98 4.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.444 ' O ' HD21 ' A' ' 90' ' ' LEU . 47.2 m -49.65 -20.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -76.66 -53.25 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.11 -28.33 66.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.07 -62.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.606 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.6 -41.92 22.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -62.29 -73.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -47.37 -35.79 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -67.09 -74.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -98.69 -44.71 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 140.08 -43.45 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.59 116.58 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.03 2.97 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -52.81 126.67 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 74' ' ' PHE . 26.9 mt -108.74 177.07 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.5 mt -143.97 160.3 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -141.7 126.75 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -136.65 152.78 50.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.85 133.37 54.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 63' ' ' ILE . 55.9 t80 -108.79 111.88 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 39.0 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 21.8 m-20 -61.38 -41.66 97.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.599 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.18 109.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.5 p -62.61 136.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 37' ' ' ALA . 8.6 t -71.39 160.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.5 mmtp -112.26 -44.45 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -141.38 161.83 36.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -52.65 -47.41 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -54.41 -42.28 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' ' CD1' ' A' ' 40' ' ' ILE . 37.5 tt0 -68.53 -36.42 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -64.25 -36.63 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 70' ' ' THR . 99.0 t -67.44 -51.6 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -57.49 -49.22 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 27' ' ' PHE . 69.9 mt -59.17 -52.44 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -50.83 -47.68 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -54.62 -36.56 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -67.42 -40.72 85.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.535 HD11 ' HB3' ' A' ' 27' ' ' PHE . 51.5 mt -66.9 -37.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.96 102.23 2.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.549 ' HA ' HG13 ' A' ' 48' ' ' VAL . 80.4 m-85 -58.67 153.9 38.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.76 155.26 93.33 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.359 -0.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.784 HG21 ' HB1' ' A' ' 41' ' ' ALA . 17.7 m -129.82 125.61 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.3 ttm -84.12 148.66 26.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 91' ' ' LEU . 56.4 mt -128.91 113.43 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 165.68 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -86.61 112.54 21.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -42.17 -44.94 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.408 HH11 ' CA ' ' A' ' 73' ' ' GLY . 20.0 ttt180 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.792 0.329 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 95' ' ' PHE . 21.9 mt -122.83 142.03 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.74 151.66 35.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.59 -11.51 10.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -152.41 158.39 42.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -39.27 -55.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 12.4 pt-20 -45.74 -48.27 15.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 23.0 mt-10 -66.54 -41.94 87.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.586 HG21 ' HA ' ' A' ' 38' ' ' VAL . 62.3 m -54.63 -41.41 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -70.83 -55.67 8.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.16 -40.63 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.408 ' CA ' HH11 ' A' ' 62' ' ' ARG . . . -73.89 -35.33 54.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CD1' HD12 ' A' ' 90' ' ' LEU . 50.4 t80 -64.26 -41.26 97.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -64.89 -47.52 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.86 -56.73 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -52.5 -46.77 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.1 p -56.55 -43.17 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -63.19 -36.83 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 84' ' ' SER . 51.2 mm-40 -67.0 -61.77 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.33 -31.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.415 ' O ' ' CA ' ' A' ' 86' ' ' GLY . . . -58.58 -69.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 m -79.79 -49.76 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 83' ' ' SER . 8.6 t -36.12 -64.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 84.4 m-85 -100.94 -52.37 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 82' ' ' ALA . . . 150.26 -17.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.448 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 4.4 m-20 -121.33 135.28 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.23 -9.71 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.3 mtt85 -45.46 134.98 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.4 mt -120.23 170.22 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 17.1 mt -135.62 166.55 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 31' ' ' VAL . 41.7 mt -146.7 116.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -125.77 155.03 41.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -69.06 134.36 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 63' ' ' ILE . 9.0 t80 -108.12 113.29 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.684 ' CE2' HG21 ' A' ' 40' ' ' ILE . 70.8 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' GLY . 18.4 p-10 -92.99 -33.91 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.586 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.33 105.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.4 135.75 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.876 HG11 ' HB2' ' A' ' 37' ' ' ALA . 17.0 t -74.34 147.84 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -97.24 -39.1 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.45 172.75 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.77 81.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.24 -54.42 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.71 -31.33 68.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.876 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -67.62 -32.1 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.62 HG12 ' HD2' ' A' ' 42' ' ' ARG . 69.9 t -72.7 -48.19 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.48 -54.9 41.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.684 HG21 ' CE2' ' A' ' 27' ' ' PHE . 61.5 mt -55.9 -53.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.613 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.01 -45.68 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.62 ' HD2' HG12 ' A' ' 38' ' ' VAL . 22.8 mtt180 -56.4 -32.24 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -73.47 -40.87 63.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 27' ' ' PHE . 15.7 mt -61.58 -39.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.23 92.87 1.97 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.531 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 96.4 m-85 -43.82 153.17 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.74 158.58 90.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.128 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.613 HG21 ' HB1' ' A' ' 41' ' ' ALA . 27.0 m -134.01 123.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.434 ' HA ' HG23 ' A' ' 63' ' ' ILE . 40.4 ttm -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.1 mt -115.34 113.65 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.17 168.69 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.584 ' HA ' HD23 ' A' ' 90' ' ' LEU . . . -90.49 112.03 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.413 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.4 t -47.87 -40.76 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.492 HH11 HD12 ' A' ' 76' ' ' LEU . 14.0 ttt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.631 HD13 ' CE2' ' A' ' 95' ' ' PHE . 36.0 mt -118.51 147.13 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.86 147.76 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.492 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.6 m95 -119.63 -14.12 9.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -148.6 169.86 19.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -52.35 -50.91 61.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.41 -42.07 66.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.86 -37.44 73.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.504 HG21 ' HA ' ' A' ' 38' ' ' VAL . 25.0 m -54.99 -56.74 16.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -59.11 -58.54 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.0 -47.82 21.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.92 -37.02 74.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CD2' HD12 ' A' ' 90' ' ' LEU . 23.8 t80 -63.65 -44.38 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -61.72 -42.6 99.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.492 HD12 HH11 ' A' ' 62' ' ' ARG . 30.0 mt -73.09 -60.93 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 m -46.99 -32.09 3.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -66.51 -51.74 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -63.59 -63.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -49.05 -42.05 37.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.88 -32.55 14.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.8 t -96.28 -45.28 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -46.44 -64.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -105.89 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.15 -31.12 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -96.49 157.2 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 27.44 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 12.9 mmt180 -67.79 147.85 52.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 52' ' ' ALA . 43.4 mt -136.38 175.33 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 77.2 mt -144.67 162.25 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 44' ' ' ILE . 21.4 mt -140.64 119.87 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -135.3 141.12 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -50.01 128.04 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.631 ' CE2' HD13 ' A' ' 63' ' ' ILE . 32.6 t80 -94.14 106.69 18.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 51.5 t80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.4 m-20 -106.18 -43.9 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.09 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 89' ' ' ARG . 2.7 p -48.45 142.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' HB2' ' A' ' 37' ' ' ALA . 17.0 t -71.1 156.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' N ' HG12 ' A' ' 31' ' ' VAL . 8.9 mmpt? -104.18 -45.33 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -152.39 156.42 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.44 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -38.81 -48.45 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.18 -50.81 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.92 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -68.56 -46.78 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -58.48 -56.68 19.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.456 HG21 ' CD2' ' A' ' 27' ' ' PHE . 29.3 mt -50.82 -52.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -48.09 -58.19 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -45.56 -46.9 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -56.29 -43.99 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.01 106.83 3.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.545 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 95.4 m-85 -58.11 152.77 38.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.948 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.77 158.68 90.77 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.387 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 41' ' ' ALA . 29.5 m -132.23 126.66 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.0 ttm -88.05 140.14 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 91' ' ' LEU . 38.9 mt -120.92 134.13 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LEU . 9.6 mtmt -133.36 155.33 49.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -78.71 110.74 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 89' ' ' ARG . 1.3 t -46.0 -37.33 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.771 HD13 ' CD2' ' A' ' 95' ' ' PHE . 65.1 mt -120.29 146.73 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.83 146.81 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.494 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 56.6 m95 -114.73 -22.39 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -140.27 165.8 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.69 -54.99 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.46 ' N ' HH21 ' A' ' 71' ' ' ARG . 7.4 pt-20 -50.36 -43.55 54.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.84 -42.6 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.9 m -57.02 -48.96 77.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.46 HH21 ' N ' ' A' ' 68' ' ' GLU . 54.6 mtm180 -63.97 -48.74 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.94 -44.95 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.74 -31.78 57.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CD2' HD12 ' A' ' 90' ' ' LEU . 25.0 t80 -64.06 -38.47 91.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 15.3 mtp-105 -63.1 -49.84 72.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.05 -55.02 10.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.592 ' O ' HD21 ' A' ' 90' ' ' LEU . 8.2 t -51.81 -28.14 14.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 t -81.01 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.44 -28.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.36 -66.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.682 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -46.72 -38.81 10.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.05 -62.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' SER . 25.6 p -73.96 -49.47 24.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' SER . 11.0 m -37.11 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -95.15 -52.52 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.38 -31.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.37 161.47 13.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.29 18.04 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HB3' HG21 ' A' ' 30' ' ' VAL . 85.3 mtt-85 -62.88 118.92 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.592 HD21 ' O ' ' A' ' 77' ' ' SER . 16.2 mt -104.89 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' LYS . 30.2 mt -141.28 162.85 34.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.1 mt -141.08 133.83 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -140.93 162.58 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -77.03 130.8 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.771 ' CD2' HD13 ' A' ' 63' ' ' ILE . 11.1 t80 -105.26 119.93 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.965 ' CE2' HG21 ' A' ' 40' ' ' ILE . 85.5 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 68.3 m-20 -115.6 -33.45 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.556 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.22 102.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.74 129.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.815 HG11 ' HB2' ' A' ' 37' ' ' ALA . 3.8 t -70.63 157.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -128.98 -35.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.5 144.94 36.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.587 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -43.76 -41.65 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.22 -39.42 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.5 tp10 -72.42 -32.97 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.815 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -65.36 -37.67 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.438 ' HA ' HG21 ' A' ' 70' ' ' THR . 51.9 t -67.36 -51.04 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -53.43 -54.13 41.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.965 HG21 ' CE2' ' A' ' 27' ' ' PHE . 28.0 mt -57.16 -46.65 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.474 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -57.37 -60.76 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.414 ' HD2' HG12 ' A' ' 38' ' ' VAL . 55.9 mtp180 -42.41 -36.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.91 -51.23 42.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -58.9 -39.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.39 113.44 3.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HA ' HG13 ' A' ' 48' ' ' VAL . 88.6 m-85 -66.15 153.58 91.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.751 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.77 155.14 93.42 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.346 -0.055 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 46' ' ' TYR . 15.6 m -130.1 126.55 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.43 ' HA ' HG23 ' A' ' 63' ' ' ILE . 3.3 ttm -84.02 146.01 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt -127.37 120.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.47 175.99 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.77 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -102.49 98.25 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.089 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 3.2 t -37.01 -29.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.426 ' NH2' ' O ' ' A' ' 63' ' ' ILE . 6.3 ttp85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' CE2' ' A' ' 95' ' ' PHE . 38.7 mt -126.75 142.01 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.56 156.7 26.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.451 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.0 m95 -122.46 -20.06 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.72 162.04 37.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -43.33 -50.66 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -52.26 -46.51 65.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' NH2' ' A' ' 62' ' ' ARG . 30.9 mt-10 -66.17 -41.37 90.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 38' ' ' VAL . 95.4 m -51.57 -54.02 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -62.08 -58.59 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.18 -40.32 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.19 -38.02 27.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.636 ' CD1' HD12 ' A' ' 90' ' ' LEU . 56.0 t80 -60.29 -31.11 69.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 22.4 mtp85 -73.42 -44.81 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.37 -64.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.2 m -47.2 -23.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.1 t -77.58 -48.04 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' ARG . 24.4 mt-30 -60.21 -31.01 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -69.52 -64.99 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -52.99 -37.49 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.3 -22.29 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.6 t -109.31 -66.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' SER . 3.8 p -34.67 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 10.5 m-85 -121.77 -51.01 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.57 -40.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 145.47 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.18 8.56 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.468 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 58.7 mtt85 -53.71 116.86 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.636 HD12 ' CD1' ' A' ' 74' ' ' PHE . 27.7 mt -109.33 161.25 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 mt -131.06 161.52 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.15 130.26 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -137.21 156.59 48.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -64.16 134.11 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 63' ' ' ILE . 22.8 t80 -109.38 118.65 37.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 89.2 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -83.77 18.31 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.6 ' O ' HD23 ' A' ' 91' ' ' LEU . . . -78.34 -157.69 10.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.54 144.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.704 HG11 ' HB2' ' A' ' 37' ' ' ALA . 16.1 t -98.85 144.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -95.09 -48.2 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -145.3 157.67 44.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.614 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.61 -48.59 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -48.33 -55.59 10.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 40' ' ' ILE . 4.1 tp10 -56.45 -39.86 73.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.704 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -55.7 -38.77 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 ' HD2' ' A' ' 42' ' ' ARG . 53.1 t -65.01 -52.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 -54.69 -52.65 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' A' ' 36' ' ' GLU . 47.6 mt -56.61 -46.34 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -58.32 -51.66 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.597 ' HD2' HG12 ' A' ' 38' ' ' VAL . 19.6 mtt180 -50.99 -37.72 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.62 -41.95 87.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.476 HG22 ' HD3' ' A' ' 94' ' ' LYS . 85.4 mt -67.94 -36.27 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.53 98.58 1.99 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 82.9 m-85 -48.67 153.72 1.35 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.79 163.1 82.79 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.485 HG22 ' CD1' ' A' ' 46' ' ' TYR . 33.7 m -135.49 123.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.4 ttm -87.38 135.77 33.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.9 mt -116.36 133.43 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HB2' ' HZ2' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -131.59 158.28 41.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.79 118.89 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.429 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t -49.32 -48.25 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.687 HD13 ' CE2' ' A' ' 95' ' ' PHE . 42.9 mt -130.78 141.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.66 151.18 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.421 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 63.8 m95 -118.64 -18.42 9.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -148.36 160.51 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -41.99 -46.06 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -53.82 -48.09 70.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -68.2 -48.9 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.447 HG21 ' HA ' ' A' ' 38' ' ' VAL . 86.8 m -40.61 -45.35 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -72.36 -47.06 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.06 -50.01 49.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.45 -33.34 61.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 90' ' ' LEU . 72.1 t80 -63.91 -41.76 97.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.95 -44.32 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.02 -62.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.428 ' C ' HD21 ' A' ' 90' ' ' LEU . 47.0 m -44.0 -26.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -70.72 -59.09 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -57.78 -36.72 72.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -57.66 -54.98 40.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -35.99 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.02 -58.94 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -68.12 -12.34 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.4 m -88.54 -60.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -118.13 -43.79 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.67 -23.7 3.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.646 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 2.4 m-20 -88.87 96.26 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' ARG . 10.0 p-10 -55.48 -23.87 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' ASP . 27.1 mtm180 -36.2 152.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -131.57 172.32 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 29' ' ' GLY . 79.7 mt -137.12 158.85 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -141.34 128.69 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -132.83 162.85 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HD3' HG22 ' A' ' 44' ' ' ILE . 28.0 tptt -75.77 128.4 35.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.687 ' CE2' HD13 ' A' ' 63' ' ' ILE . 13.0 t80 -101.01 116.33 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 40' ' ' ILE . 61.4 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -95.56 8.43 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' O ' HD23 ' A' ' 91' ' ' LEU . . . -70.42 -149.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.72 HG11 ' HD2' ' A' ' 89' ' ' ARG . 57.9 t -145.89 132.67 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.87 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.9 t -81.04 150.95 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.23 -46.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -138.57 161.05 38.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.99 -49.5 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -53.96 -43.9 70.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.36 -39.49 94.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.87 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -60.13 -37.35 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.641 HG12 ' HD2' ' A' ' 42' ' ' ARG . 52.4 t -64.23 -50.91 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.51 -56.21 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.65 HD13 ' CE2' ' A' ' 27' ' ' PHE . 39.1 mt -55.21 -45.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.536 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -58.68 -50.59 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.641 ' HD2' HG12 ' A' ' 38' ' ' VAL . 40.7 mtp180 -52.41 -37.4 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.81 -35.34 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 27' ' ' PHE . 51.1 mt -74.23 -28.98 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.16 108.48 1.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.546 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -62.74 153.78 77.5 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.721 0.772 . . . . 0.0 110.892 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.3 Cg_endo -69.72 161.43 86.08 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.397 -0.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 ' CD1' ' A' ' 46' ' ' TYR . 17.2 m -134.66 127.57 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 ttm -87.47 130.7 34.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 91' ' ' LEU . 19.9 mt -113.44 136.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 93' ' ' GLU . 7.1 mtmt -138.0 158.68 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.649 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -80.83 106.65 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -41.55 -45.04 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.574 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 55.6 mt -124.44 144.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.7 140.07 50.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 62.6 m95 -110.59 -17.89 13.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -144.69 158.82 43.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.29 -45.28 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.29 -43.69 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.35 -35.24 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -60.46 -48.54 81.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -66.8 -43.15 84.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -32.62 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.97 -33.04 24.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.688 ' CD2' HD12 ' A' ' 90' ' ' LEU . 9.6 t80 -66.45 -36.79 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -65.35 -50.01 67.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.57 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -47.19 -27.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 m -72.84 -60.01 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -47.13 -39.39 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.15 -69.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.649 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -45.33 -46.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -34.44 -52.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 5.5 m -97.9 -52.15 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 66.4 m -34.54 -39.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.426 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 88.4 m-85 -125.9 -47.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.66 -21.11 2.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.91 158.12 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.73 26.38 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.72 ' HD2' HG11 ' A' ' 30' ' ' VAL . 19.2 mmt180 -71.83 123.25 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.688 HD12 ' CD2' ' A' ' 74' ' ' PHE . 20.1 mt -112.22 175.56 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 29' ' ' GLY . 36.6 mt -142.62 159.94 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' CD ' ' A' ' 93' ' ' GLU . 7.5 mt -140.53 116.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 51' ' ' LYS . 7.9 mp0 -126.72 151.1 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -55.6 136.37 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 63' ' ' ILE . 36.3 t80 -108.24 119.59 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.682 ' CE2' HG21 ' A' ' 40' ' ' ILE . 84.7 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -108.81 17.12 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.545 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -81.33 89.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 89' ' ' ARG . 75.7 t -35.83 135.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 37' ' ' ALA . 3.6 t -81.53 159.35 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -112.08 -37.52 5.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -145.46 175.1 10.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 71' ' ' ARG . . . -62.93 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -50.03 70.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.09 -38.32 76.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.78 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.05 -33.85 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.57 -47.05 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.3 -37.94 82.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.682 HG21 ' CE2' ' A' ' 27' ' ' PHE . 55.0 mt -72.01 -49.97 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.664 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.81 -49.84 61.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -52.81 -38.85 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.72 -39.1 84.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.668 HD12 HG22 ' A' ' 92' ' ' ILE . 42.4 mt -70.89 -31.28 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.32 109.45 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.552 ' HA ' HG13 ' A' ' 48' ' ' VAL . 89.9 m-85 -62.41 153.37 76.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.701 0.763 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.545 ' HB3' ' CE3' ' A' ' 65' ' ' TRP . 53.9 Cg_endo -69.76 155.3 93.33 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.351 -0.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.664 HG21 ' HB1' ' A' ' 41' ' ' ALA . 20.8 m -130.67 124.96 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.404 ' HA ' HG23 ' A' ' 63' ' ' ILE . 3.3 ttm -84.4 149.59 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.7 mt -130.31 116.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.9 170.86 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.688 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -97.47 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -38.82 -39.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.909 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.404 HG23 ' HA ' ' A' ' 49' ' ' MET . 40.0 mt -124.92 144.62 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.84 141.25 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.545 ' CE3' ' HB3' ' A' ' 47' ' ' PRO . 74.3 m95 -108.02 -15.85 14.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.96 158.99 41.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -37.81 -54.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.93 -46.02 31.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.66 -40.21 73.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 m -53.73 -55.74 23.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.436 ' HG2' ' HB1' ' A' ' 34' ' ' ALA . 66.6 mtt180 -62.07 -49.91 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.84 -35.23 68.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.56 -30.24 33.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.4 t80 -67.98 -30.31 69.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.3 -42.26 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.63 -39.32 57.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.2 m -69.96 -26.21 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.1 p -78.0 -49.66 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -57.77 -32.12 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.53 -68.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.688 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -48.63 -43.87 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.69 -35.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 85' ' ' PHE . 15.9 t -108.55 -59.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 10.1 m -35.11 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' SER . 44.6 m-85 -128.52 -43.9 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.51 -36.66 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.93 156.62 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -100.98 15.56 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.503 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 3.0 mmp_? -58.99 129.0 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 74' ' ' PHE . 11.0 mt -119.13 170.89 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.4 mt -141.92 160.47 40.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.668 HG22 HD12 ' A' ' 44' ' ' ILE . 20.6 mt -140.71 121.32 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -130.41 157.28 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -70.68 131.85 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -108.15 120.15 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 40' ' ' ILE . 74.4 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 56.9 m-20 -132.53 -35.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -37.56 94.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 90' ' ' LEU . 10.8 p -37.59 142.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.699 HG11 ' HB2' ' A' ' 37' ' ' ALA . 34.9 t -77.85 156.4 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -102.26 -36.98 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 32' ' ' LYS . 2.8 m-20 -157.18 163.89 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -51.5 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -45.15 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -65.17 -33.87 77.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.699 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -67.23 -31.42 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.462 ' HA ' HG21 ' A' ' 70' ' ' THR . 69.3 t -69.43 -46.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -62.54 -55.54 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.58 HD13 ' CE2' ' A' ' 27' ' ' PHE . 74.3 mt -49.89 -45.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB1' HG11 ' A' ' 48' ' ' VAL . . . -57.76 -55.2 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -50.46 -27.77 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.57 -29.94 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 92' ' ' ILE . 46.3 mt -79.73 -32.34 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 102.06 2.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.539 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 98.6 m-85 -56.44 152.95 22.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.75 159.82 89.03 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 48' ' ' VAL . 34.3 m -130.04 122.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.452 ' HA ' HG23 ' A' ' 63' ' ' ILE . 23.9 ttm -85.27 128.89 34.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.3 mt -114.94 139.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 91' ' ' LEU . 12.4 mtmm -142.6 171.8 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -88.87 107.5 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -44.42 -30.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.487 HD13 ' CD2' ' A' ' 95' ' ' PHE . 76.2 mt -124.37 155.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.475 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -130.21 153.67 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 45.8 m95 -121.02 -7.92 9.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -147.18 175.5 10.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -59.43 -48.95 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.96 -43.9 86.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.9 -43.28 99.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.462 HG21 ' HA ' ' A' ' 38' ' ' VAL . 44.8 m -49.52 -52.54 28.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.19 -61.73 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -46.51 -37.35 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.06 49.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CD2' HD12 ' A' ' 90' ' ' LEU . 2.7 t80 -74.69 -35.42 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -69.29 -42.26 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.47 -54.22 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.506 ' C ' HD21 ' A' ' 90' ' ' LEU . 48.6 m -55.3 -33.29 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.5 p -70.27 -52.17 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -55.88 -35.18 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' SER . 66.0 mm-40 -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -73.31 -29.43 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.62 72.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 t -96.17 -27.78 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 13.8 m -66.06 -68.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -98.92 -40.68 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.23 -35.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.4 155.01 16.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.27 32.1 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.494 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 9.9 mmm180 -71.24 130.61 41.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.9 mt -118.62 179.24 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' LYS . 25.7 mt -146.41 161.68 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.546 HG22 HD12 ' A' ' 44' ' ' ILE . 53.5 mt -143.91 123.64 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -133.31 154.87 50.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HD3' HG22 ' A' ' 44' ' ' ILE . 16.7 tptm -68.56 128.02 35.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CD2' HD13 ' A' ' 63' ' ' ILE . 10.9 t80 -102.33 111.8 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -139.02 158.69 43.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -166.21 149.51 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.58 131.13 7.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 p -155.64 161.77 40.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -161.29 153.78 20.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.46 101.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -59.49 -58.65 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.387 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt 58.49 41.45 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.0 mt -115.26 105.83 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.07 154.11 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t 56.26 48.94 16.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 115.31 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 15' ' ' LEU . 5.1 mt 67.69 27.48 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD12 ' C ' ' A' ' 14' ' ' LEU . 7.3 mp -130.67 125.96 35.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.31 122.18 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -121.62 154.13 37.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -88.58 -39.0 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.713 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -137.19 142.19 42.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -44.28 103.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 19' ' ' ALA . 35.6 m -102.98 39.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -92.4 88.13 6.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -156.09 166.89 32.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.484 HG22 ' HD2' ' A' ' 25' ' ' PRO . 1.8 mt -98.81 136.81 20.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.683 0.754 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.484 ' HD2' HG22 ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.75 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.74 120.38 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' A' ' 40' ' ' ILE . 52.8 t80 -84.05 115.39 22.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.384 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -107.97 10.02 28.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' O ' ' CG2' ' A' ' 30' ' ' VAL . . . -66.99 -133.71 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 59.8 t -158.83 143.8 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 111.112 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.914 HG11 ' HB2' ' A' ' 37' ' ' ALA . 11.4 t -96.75 138.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -92.84 -43.05 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -143.05 161.25 38.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.47 -50.09 23.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -49.77 -47.93 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -63.76 -35.12 79.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.914 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -61.93 -32.83 73.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' A' ' 70' ' ' THR . 94.9 t -72.24 -46.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -57.63 -49.38 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.561 HG21 ' CD2' ' A' ' 27' ' ' PHE . 75.2 mt -61.55 -47.1 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -52.28 -57.18 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -45.6 -44.88 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.77 -40.06 91.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 27' ' ' PHE . 77.4 mt -72.27 -34.01 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.9 110.95 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 97.6 m-85 -61.98 152.96 75.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.77 160.69 87.63 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.376 -0.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 41' ' ' ALA . 27.6 m -133.82 123.9 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.491 ' HA ' HG23 ' A' ' 63' ' ' ILE . 36.6 ttm -81.55 140.32 34.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.95 118.57 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -123.38 169.87 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -89.69 115.74 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -48.11 -48.12 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.691 ' HB1' ' CG ' ' A' ' 85' ' ' PHE . . . -52.44 -35.01 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.477 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -139.55 -81.52 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.63 -123.73 7.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.3 108.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.42 -40.49 8.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -78.78 99.26 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.4 -37.84 1.97 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -73.77 -176.55 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.825 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' N ' ' SD ' ' A' ' 61' ' ' MET . 38.7 ttt180 -130.99 158.75 39.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.64 HD13 ' CD2' ' A' ' 95' ' ' PHE . 30.9 mt -120.91 146.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.72 150.43 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.487 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 49.3 m95 -120.16 -16.53 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.8 m-20 -148.95 153.6 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' ASP . 7.4 p-10 -35.97 -45.04 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.4 -42.21 92.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.402 ' HB ' HG22 ' A' ' 38' ' ' VAL . 31.4 m -52.82 -38.14 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.11 -55.68 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.37 -40.01 58.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.12 -32.94 42.15 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.663 ' CD2' HD12 ' A' ' 90' ' ' LEU . 7.7 t80 -68.08 -42.9 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -56.76 -42.62 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.1 mt -79.5 -55.19 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.0 m -48.43 -44.06 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -66.72 -44.97 80.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.52 -35.0 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.47 -55.1 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -56.69 -30.35 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.19 -15.77 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 t -113.07 -31.44 6.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -68.15 -62.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.691 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 75.1 m-85 -102.65 -25.04 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.14 -41.35 1.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 81' ' ' ALA . 2.4 m-20 -88.12 166.98 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.01 17.65 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 mmt-85 -58.79 120.88 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.663 HD12 ' CD2' ' A' ' 74' ' ' PHE . 9.9 mt -110.25 177.53 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' LYS . 23.7 mt -143.49 159.1 43.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 44' ' ' ILE . 11.1 mt -141.76 117.86 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -125.18 158.34 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HD3' HG22 ' A' ' 44' ' ' ILE . 15.5 tptm -74.25 128.59 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.64 ' CD2' HD13 ' A' ' 63' ' ' ILE . 4.8 t80 -105.26 119.87 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.3 mt -128.77 107.77 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.11 -51.11 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -79.09 147.07 68.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.671 0.748 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -2.63 10.5 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -98.55 143.37 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 10.9 t60 -99.56 99.42 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.702 ' O ' HG23 ' A' ' 102' ' ' ILE . 7.7 tp -101.48 45.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 101' ' ' HIS . 94.0 p -39.95 117.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.25 -159.14 28.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 165.74 29.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.0 m -158.21 159.11 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.9 m -62.82 157.75 20.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -154.33 153.11 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.915 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -142.72 154.18 44.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.1 144.94 7.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 m -87.5 172.84 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.03 23.45 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.17 130.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -164.75 141.81 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' C ' HD12 ' A' ' 10' ' ' ILE . 17.3 pttp -169.92 127.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.45 HD12 ' C ' ' A' ' 9' ' ' LYS . 5.0 mp -136.62 135.98 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.7 156.6 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -163.01 166.0 24.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.78 160.03 40.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tt -170.89 109.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.3 mm? -116.83 94.6 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.59 87.33 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -60.32 -28.12 67.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -105.98 122.76 46.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.19 85.17 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -173.97 142.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -88.5 158.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.35 -47.07 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.4 p -119.86 -179.17 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 1.3 mt -51.58 136.09 33.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.78 -1.55 8.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.16 -160.67 30.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.614 ' CE2' HD13 ' A' ' 40' ' ' ILE . 57.1 t80 -169.13 144.43 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' VAL . 80.1 m-20 -130.59 -34.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -40.29 96.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.518 HG21 ' CB ' ' A' ' 89' ' ' ARG . 13.3 p -43.41 137.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.743 HG11 ' HB2' ' A' ' 37' ' ' ALA . 43.6 t -71.7 154.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 31' ' ' VAL . 4.7 mmpt? -104.48 -35.37 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.19 -51.25 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.33 -43.51 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.8 -39.05 90.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.743 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.56 -32.61 74.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 42' ' ' ARG . 56.1 t -67.52 -49.56 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.07 -52.19 66.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.614 HD13 ' CE2' ' A' ' 27' ' ' PHE . 90.3 mt -55.58 -48.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -54.09 -54.18 42.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HD2' HG12 ' A' ' 38' ' ' VAL . 30.1 mtp180 -48.44 -36.92 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -68.61 -44.0 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.8 -38.86 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.63 110.97 3.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.432 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.553 ' HA ' HG13 ' A' ' 48' ' ' VAL . 96.5 m-85 -64.19 153.43 85.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.76 157.03 92.48 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.351 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 46' ' ' TYR . 22.4 m -131.92 126.51 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.6 ttm -85.1 146.2 27.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mt -124.45 120.76 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 176.16 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.576 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -99.41 112.18 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 2.0 t -46.76 -48.37 20.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB1' ' CG ' ' A' ' 85' ' ' PHE . . . -51.16 -34.83 33.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.502 ' HA3' ' CE1' ' A' ' 85' ' ' PHE . . . -132.0 -73.69 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 61.35 139.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.01 -75.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.67 -29.59 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -112.97 81.89 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.361 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.63 -36.06 0.93 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -57.43 -175.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.844 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -113.46 156.08 24.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.409 HD13 ' CE2' ' A' ' 95' ' ' PHE . 56.6 mt -128.77 147.1 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.62 153.4 43.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.507 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -119.86 -16.95 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.1 162.97 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -43.79 -50.7 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 11.1 pt-20 -51.62 -46.25 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 29.9 mt-10 -68.04 -44.9 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.3 m -48.85 -55.89 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -60.3 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.83 -36.55 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.57 -33.15 28.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 90' ' ' LEU . 1.8 t80 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 14.3 mtp-105 -66.9 -32.99 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.22 -58.49 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.3 p -51.06 -23.78 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -71.51 -49.86 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -56.88 -39.5 74.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.79 -48.23 75.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.576 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -71.83 -31.22 66.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.7 86.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -92.01 -48.43 6.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 m -47.76 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.583 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 86.9 m-85 -90.06 -50.77 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.78 -34.71 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.434 ' CG ' ' HG3' ' A' ' 89' ' ' ARG . 4.4 t0 -99.48 159.8 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -95.76 -2.42 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.518 ' CB ' HG21 ' A' ' 30' ' ' VAL . 72.1 mtt180 -39.24 109.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.691 HD12 ' CD2' ' A' ' 74' ' ' PHE . 33.5 mt -102.72 175.81 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 mt -143.16 159.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.7 mt -140.44 124.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -132.26 150.06 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -61.28 133.1 55.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CE2' HD13 ' A' ' 63' ' ' ILE . 33.3 t80 -106.23 108.98 20.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 98' ' ' ASN . 13.8 mt -123.66 114.18 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.13 -30.67 67.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.406 ' O ' HG22 ' A' ' 96' ' ' ILE . 17.0 m-80 -96.35 144.26 27.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.94 25.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -157.26 176.52 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -84.82 169.47 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 72.2 mt -124.06 132.67 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 t -75.61 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 178.21 179.35 48.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 2.89 3.19 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.618 2.212 . . . . 0.0 112.364 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 p -70.51 127.19 31.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.9 p -68.29 -42.27 79.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.439 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -109.66 109.9 20.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 m -78.61 -55.36 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.78 129.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -143.35 113.71 7.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -170.22 145.24 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.8 166.43 33.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -170.31 162.34 8.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -123.04 119.86 31.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 tp -159.45 133.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -78.87 -31.34 45.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' A' ' 11' ' ' GLU . 74.6 m 36.65 49.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -95.65 41.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.02 83.41 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 ' HG3' ' A' ' 17' ' ' LYS . 4.6 pp -83.66 156.06 22.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.624 ' HB1' ' HD3' ' A' ' 18' ' ' LYS . . . -108.37 -56.48 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HG3' HD13 ' A' ' 15' ' ' LEU . 49.4 mtpt 60.76 49.86 5.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.624 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 7.8 mptt -106.3 36.28 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.71 127.15 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' VAL . 4.2 tp10 -111.7 86.38 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' GLU . 2.8 t 34.06 52.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -82.58 -67.51 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -121.92 -176.24 3.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 5.8 mt -90.33 136.04 28.96 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.3 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.05 -170.83 42.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -166.28 120.48 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.8 -1.13 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -152.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -142.47 146.57 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.944 HG11 ' HB2' ' A' ' 37' ' ' ALA . 34.9 t -90.62 146.44 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -102.39 -47.9 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.91 156.87 44.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -40.65 -46.4 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.74 -48.39 75.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.36 -43.41 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.944 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -57.37 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.479 HG12 ' HD2' ' A' ' 42' ' ' ARG . 97.8 t -62.97 -48.7 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -59.55 -46.02 90.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.8 mt -64.16 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.844 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -63.43 -54.11 41.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HD2' HG12 ' A' ' 38' ' ' VAL . 6.5 mtp-105 -49.22 -38.67 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -63.1 -45.17 93.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -65.98 -42.75 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.88 111.71 3.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.54 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 81.2 m-85 -64.24 154.33 83.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.71 158.25 91.05 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.379 -0.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.844 HG21 ' HB1' ' A' ' 41' ' ' ALA . 34.6 m -134.47 129.0 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.412 ' CG ' HG12 ' A' ' 63' ' ' ILE . 7.3 ttp -91.06 149.04 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.3 mt -126.15 120.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.78 166.51 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -88.49 110.75 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -45.12 -46.11 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.89 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.66 66.11 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -78.23 166.04 52.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.452 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.98 -41.15 0.69 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.63 -13.71 32.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -43.83 -39.4 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.14 46.12 0.55 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.42 ' CE ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -96.35 -175.48 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -127.57 157.16 40.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.67 HD13 ' CE1' ' A' ' 95' ' ' PHE . 58.5 mt -124.02 157.61 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.492 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -134.3 153.12 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.53 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 47.0 m95 -119.96 -29.03 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -133.28 158.47 42.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -41.92 -47.62 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.75 -39.32 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.63 -40.76 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 38' ' ' VAL . 86.5 m -56.21 -48.55 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.19 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -66.16 -51.71 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.8 -40.62 72.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.22 -27.55 57.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.498 ' CD2' HD12 ' A' ' 90' ' ' LEU . 16.2 t80 -70.62 -34.88 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 14.6 mtp-105 -67.65 -43.36 80.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.86 -52.44 11.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.4 m -55.49 -32.56 62.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.6 t -73.9 -62.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -46.52 -30.57 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.17 -61.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.2 -35.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.65 74.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -87.2 -12.28 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -91.54 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -101.39 -44.21 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.95 -31.8 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -91.33 143.88 26.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -94.35 4.77 53.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -55.42 126.99 27.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 74' ' ' PHE . 10.1 mt -115.08 172.21 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt -136.82 153.92 50.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.5 119.14 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -127.49 146.57 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -57.46 130.25 45.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.67 ' CE1' HD13 ' A' ' 63' ' ' ILE . 50.6 t80 -101.89 123.11 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 98' ' ' ASN . 5.4 mm -119.15 101.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -75.17 -44.32 47.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' HG22 ' A' ' 96' ' ' ILE . 13.2 p30 -96.36 142.9 25.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -4.01 13.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -59.09 -69.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -72.04 86.67 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.634 ' O ' HD12 ' A' ' 102' ' ' ILE . 2.7 pp -83.8 20.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.1 t 64.31 42.06 5.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.02 170.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -178.45 2.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.381 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.7 m -99.28 179.23 4.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -133.37 -62.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -168.16 175.78 6.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 t -172.41 166.04 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.08 176.96 48.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -164.34 165.12 22.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -144.02 152.03 40.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.72 167.86 37.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -107.19 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -167.81 119.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.9 mt -114.1 131.46 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -140.17 146.91 39.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -136.09 147.64 47.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.619 ' HD3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -160.47 115.4 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 13' ' ' LYS . 1.1 mm? -125.27 104.4 8.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD23 ' HD3' ' A' ' 13' ' ' LYS . 2.3 pp -141.15 164.21 30.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.503 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -116.93 108.94 16.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.044 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -144.23 -177.41 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 151.34 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.36 -179.84 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -125.97 43.39 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.96 142.05 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -44.69 149.64 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.2 p -138.79 165.54 26.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 7.2 mt -113.07 136.07 21.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.71 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.74 2.25 3.69 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.79 167.59 12.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 66.7 t80 -147.49 125.99 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -106.38 -36.73 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.585 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.69 100.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 90' ' ' LEU . 14.1 p -48.13 136.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.07 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.655 HG11 ' HB2' ' A' ' 37' ' ' ALA . 4.1 t -68.65 161.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -108.41 -42.07 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.16 163.97 38.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.51 -51.37 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -49.79 -51.24 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 7.2 tp10 -60.63 -38.8 85.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.655 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -58.14 -37.96 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 67' ' ' ASP . 94.9 t -67.91 -42.01 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -63.87 -57.43 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.527 HG21 ' CE2' ' A' ' 27' ' ' PHE . 59.9 mt -51.78 -49.35 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.694 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -56.66 -42.25 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -59.76 -33.1 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.68 -42.67 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 94' ' ' LYS . 69.5 mt -63.53 -35.45 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.05 100.67 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.668 ' CD1' HG22 ' A' ' 48' ' ' VAL . 77.3 m-85 -54.36 154.69 8.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.914 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.2 Cg_endo -69.72 163.88 80.57 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 -1.779 . . . . 0.0 112.337 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.694 HG21 ' HB1' ' A' ' 41' ' ' ALA . 15.6 m -135.86 129.5 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 ttm -90.08 138.08 31.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.5 mt -120.61 136.86 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.186 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -136.32 173.77 11.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -93.66 110.35 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.426 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -45.26 -46.82 12.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.69 -32.36 29.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.549 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . 178.03 72.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -47.13 -74.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' GLY . . . 64.93 33.87 88.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' GLY . . . 37.08 -97.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' GLY . 25.8 mmtm -39.29 115.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.91 -9.73 11.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -100.54 -176.1 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.497 ' N ' ' SD ' ' A' ' 61' ' ' MET . 25.3 ttt-85 -129.58 162.0 29.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 95' ' ' PHE . 67.3 mt -125.1 150.49 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.45 155.65 38.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.7 m95 -122.25 -13.66 8.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.66 179.0 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' HB2' HG11 ' A' ' 38' ' ' VAL . 5.6 p-10 -59.05 -45.49 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.66 -46.91 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.89 -37.66 86.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 m -59.45 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 5.1 mtm105 -62.06 -46.19 90.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.83 -55.07 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.26 -29.27 73.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.506 ' CD2' HD12 ' A' ' 90' ' ' LEU . 54.1 t80 -68.41 -39.92 81.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -68.4 -41.05 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' GLU . 29.9 mt -73.09 -62.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.8 t -48.59 -34.38 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -65.58 -55.69 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -52.31 -39.32 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 76' ' ' LEU . 1.1 mp0 -58.76 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -49.21 -37.08 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.1 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' SER . 16.2 t -102.92 -55.77 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' SER . 36.0 m -36.11 -56.82 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 96.7 m-85 -108.92 -48.61 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.14 -29.79 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 81' ' ' ALA . 3.4 m-20 -102.31 167.85 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.802 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -108.76 16.91 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.506 ' HD2' HG21 ' A' ' 30' ' ' VAL . 52.0 mmt-85 -58.59 127.51 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.5 mt -118.72 174.79 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 20.5 mt -140.32 165.11 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.1 mt -147.37 127.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -137.64 157.31 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 15.1 tptm -68.76 129.92 41.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 63' ' ' ILE . 3.8 t80 -103.12 122.64 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt -138.98 121.43 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -91.21 -37.58 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.77 144.42 45.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 161.97 43.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -109.8 174.77 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 48.61 42.94 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.5 tt -81.96 133.48 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.6 p -43.8 108.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.29 176.01 36.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.74 13.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.262 . . . . 0.0 112.384 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -169.17 132.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.5 p -168.43 138.01 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -168.33 145.5 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -147.99 167.71 24.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.56 121.18 1.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -139.0 136.81 35.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -157.43 173.31 17.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 136.35 -151.84 20.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER 35.21 39.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' HD12 ' A' ' 10' ' ' ILE . 38.9 mtpt -91.58 102.12 14.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD12 ' C ' ' A' ' 9' ' ' LYS . 5.3 mp -137.82 128.02 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.167 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -114.71 142.96 45.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 p -164.02 122.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -127.43 98.64 5.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -163.58 147.51 10.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -160.76 117.73 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.636 ' N ' HD13 ' A' ' 15' ' ' LEU . . . -157.61 178.44 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -111.37 -53.83 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -170.51 141.77 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.52 38.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -162.48 117.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.5 m -95.67 35.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -87.29 -66.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -132.2 -178.43 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 7.1 mt -86.85 136.11 34.73 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.6 Cg_endo -69.82 3.01 3.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.22 145.37 5.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 24.3 t80 -114.17 99.84 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -88.99 51.69 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.597 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -122.45 90.82 0.45 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.611 HG11 ' HD2' ' A' ' 89' ' ' ARG . 92.7 t -35.26 135.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.806 HG11 ' HB2' ' A' ' 37' ' ' ALA . 5.2 t -86.57 145.68 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -96.66 -42.35 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -145.61 157.32 43.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.28 -50.41 21.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -46.06 -52.16 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.6 tp10 -61.31 -36.45 80.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.806 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -61.64 -38.5 87.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.2 -52.53 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -55.15 -48.16 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.512 HD13 ' CE2' ' A' ' 27' ' ' PHE . 66.8 mt -60.51 -49.58 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.53 -55.02 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -47.43 -41.03 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -64.25 -43.77 93.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 27' ' ' PHE . 63.3 mt -64.77 -42.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.66 99.6 2.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 87.1 m-85 -52.69 153.72 5.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.696 0.76 . . . . 0.0 110.926 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.2 Cg_endo -69.82 153.59 93.17 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.37 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 46' ' ' TYR . 26.1 m -128.72 125.57 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.2 ttm -84.99 150.7 24.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 91' ' ' LEU . 26.2 mt -132.72 115.36 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -114.8 166.05 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.65 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -87.74 107.67 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -42.33 -37.02 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.598 ' O ' ' CD1' ' A' ' 85' ' ' PHE . . . -88.23 42.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.572 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . 137.93 59.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.5 -114.72 1.07 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.83 27.54 59.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.16 53.77 31.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -106.92 97.05 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.7 43.53 5.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.29 -176.78 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -126.21 154.07 43.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.704 HD13 ' CE2' ' A' ' 95' ' ' PHE . 58.7 mt -121.05 144.81 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.84 146.96 43.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.526 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 60.0 m95 -113.73 -18.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -147.32 164.83 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -45.21 -49.88 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -51.5 -43.56 62.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.65 -36.27 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -58.46 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -70.8 -51.55 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -34.33 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.45 -30.29 37.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.545 ' CD2' HD12 ' A' ' 90' ' ' LEU . 10.9 t80 -71.94 -32.66 67.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.58 -47.63 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.61 -35.81 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.466 ' O ' HD21 ' A' ' 90' ' ' LEU . 32.5 m -69.1 -28.36 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 p -75.38 -53.04 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -52.48 -33.35 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.86 -59.47 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -61.03 -35.41 76.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.88 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.9 t -89.66 -55.97 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 42.8 t -35.41 -68.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 78.5 m-85 -95.06 -49.35 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.6 -34.48 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -100.9 155.86 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -99.27 16.72 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HD2' HG11 ' A' ' 30' ' ' VAL . 12.6 mmm180 -58.87 123.45 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 74' ' ' PHE . 12.3 mt -115.65 175.64 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' ILE . 49.9 mt -143.89 166.57 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.1 mt -145.62 117.31 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 15.9 mp0 -127.71 153.38 46.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -64.49 136.31 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.704 ' CE2' HD13 ' A' ' 63' ' ' ILE . 31.8 t80 -111.29 120.37 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.2 mt -131.74 113.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -53.28 -42.39 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -160.86 141.91 8.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.78 68.56 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -144.57 169.44 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -114.84 86.94 2.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 103' ' ' SER . 15.5 tt -123.32 159.55 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.429 ' N ' ' CG1' ' A' ' 102' ' ' ILE . 17.5 m -159.32 145.86 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.01 -158.34 18.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.539 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -174.59 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.719 2.28 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.7 m -131.01 174.44 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.0 t 53.43 42.05 32.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -170.02 155.48 5.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -173.78 176.28 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.41 151.55 5.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -172.26 174.3 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -167.56 173.41 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.8 132.77 3.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -167.28 171.06 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -115.34 142.56 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.6 mt -125.83 128.58 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -144.61 146.75 32.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.2 p -159.67 111.98 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 14' ' ' LEU . 6.3 tmtm? -144.8 117.69 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 64.9 mt -130.12 159.3 37.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -150.76 134.64 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.28 107.86 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.49 119.32 24.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt 39.54 52.99 2.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.19 149.33 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.47 138.04 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 m -113.88 -2.1 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -129.65 103.72 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.6 t -165.87 174.27 9.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 3.1 mt -122.61 136.19 26.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.72 -4.29 13.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.08 -165.63 33.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.696 ' CE2' HG21 ' A' ' 40' ' ' ILE . 57.1 t80 -173.43 107.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 32.0 p-10 -81.9 -34.87 29.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.95 105.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 90' ' ' LEU . 6.7 p -63.3 137.71 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.3 t -74.31 160.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' HG12 ' A' ' 31' ' ' VAL . 8.7 mmtp -116.38 -36.07 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ALA . 24.3 p-10 -153.02 149.41 28.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -37.97 -48.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.62 -54.44 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.33 -39.0 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -57.99 -38.94 77.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.055 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.54 HG12 ' HD2' ' A' ' 42' ' ' ARG . 50.3 t -67.14 -51.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtt85 -53.75 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.696 HG21 ' CE2' ' A' ' 27' ' ' PHE . 83.9 mt -65.68 -52.74 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -48.32 -48.0 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' HD2' HG12 ' A' ' 38' ' ' VAL . 37.0 mtp180 -56.44 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.82 -46.51 71.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.34 -35.13 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.2 106.7 2.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 97.4 m-85 -62.17 153.02 76.61 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.682 0.753 . . . . 0.0 110.927 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 163.11 82.65 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.354 -0.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG21 ' HB1' ' A' ' 41' ' ' ALA . 33.7 m -136.72 123.03 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.0 ttm -84.09 135.4 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.577 HG23 ' O ' ' A' ' 91' ' ' LEU . 59.2 mt -114.96 135.52 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 1.3 mtmp? -134.52 160.68 37.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -79.02 114.49 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -44.13 -45.59 8.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.17 -37.08 9.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.53 64.22 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -51.09 170.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.09 -117.92 0.86 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.24 -40.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -101.34 39.06 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.07 -40.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -57.84 -176.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.845 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 61' ' ' MET . 25.7 ttm-85 -111.95 155.43 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.7 HD13 ' CE1' ' A' ' 95' ' ' PHE . 52.4 mt -126.7 140.56 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.96 154.49 31.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.518 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.3 m95 -120.9 -24.51 5.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -141.07 162.94 34.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.79 -54.13 4.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.22 -44.17 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.88 -45.08 71.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.8 m -48.17 -53.62 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.77 -61.19 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.21 -33.24 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.63 24.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CD2' HD12 ' A' ' 90' ' ' LEU . 12.9 t80 -70.0 -32.57 70.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.382 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -67.78 -46.56 71.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' SER . 24.2 mt -74.32 -62.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' LEU . 12.1 t -37.45 -48.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.404 ' HB2' HD11 ' A' ' 90' ' ' LEU . 22.6 t -61.69 -59.74 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -46.27 -35.88 5.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.53 -51.43 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 87' ' ' ASP . . . -51.86 -34.08 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.23 -26.87 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -91.77 -29.45 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.0 m -75.67 -74.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -95.35 -47.44 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.03 -20.92 3.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 63.6 m-20 -91.84 117.4 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.35 -9.07 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HB3' HG21 ' A' ' 30' ' ' VAL . 13.6 mmm-85 -47.68 145.54 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.566 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.9 mt -128.83 171.98 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 50' ' ' ILE . 26.7 mt -136.86 174.41 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.7 mt -155.26 123.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.57 146.33 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -53.11 136.49 35.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.7 ' CE1' HD13 ' A' ' 63' ' ' ILE . 40.0 t80 -106.7 117.86 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mm -119.88 106.33 18.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.64 -40.69 11.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -80.94 160.73 65.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.66 12.46 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -66.74 98.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -145.98 131.51 18.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 102' ' ' ILE . 5.1 mp -114.05 94.11 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -54.72 -53.18 58.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.9 145.11 1.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.79 108.17 2.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 105' ' ' PRO . 24.9 p 34.35 45.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.0 p -124.08 172.24 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -158.74 117.0 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -158.7 176.81 11.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.97 165.13 23.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -164.78 170.75 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -172.24 163.23 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.36 151.69 6.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -122.53 145.41 48.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -164.1 171.45 15.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 tt 39.01 29.19 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 9' ' ' LYS . 12.5 pt-20 -86.12 138.11 32.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -174.66 119.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -146.68 153.22 40.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 14' ' ' LEU . 1.5 pp -160.73 125.71 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tt -115.04 82.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.51 120.01 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -49.39 -44.46 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.65 106.03 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.08 86.75 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -164.91 136.86 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -107.18 109.25 27.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -111.53 -54.32 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.0 p -138.51 156.93 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.595 HD12 HG12 ' A' ' 44' ' ' ILE . 1.8 mt -117.14 136.8 23.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.68 0.752 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.501 ' HD2' HG22 ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.73 -1.11 7.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.15 -165.79 32.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 58.4 t80 -172.79 134.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' GLY . 2.2 m-20 -114.21 -38.87 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.592 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -36.15 97.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 90' ' ' LEU . 13.5 p -46.26 142.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 37' ' ' ALA . 60.9 t -74.8 151.54 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -99.68 -35.59 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -158.18 153.54 25.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -39.34 -53.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.59 -41.39 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.51 -35.18 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -64.64 -33.73 76.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.526 HG22 ' HB ' ' A' ' 70' ' ' THR . 91.2 t -70.74 -41.89 77.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -62.34 -57.15 12.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.579 HG21 ' CE2' ' A' ' 27' ' ' PHE . 28.4 mt -55.86 -40.02 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -59.33 -55.18 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -48.57 -40.23 26.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' HB3' HD11 ' A' ' 24' ' ' ILE . 5.8 mt-10 -62.57 -47.98 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.595 HG12 HD12 ' A' ' 24' ' ' ILE . 38.8 mt -61.46 -41.12 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.48 95.07 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.542 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 78.7 m-85 -48.15 154.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.952 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.4 Cg_endo -69.73 163.31 82.07 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.362 -0.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' HA ' ' A' ' 46' ' ' TYR . 28.1 m -137.94 123.62 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.581 ' HA ' HG23 ' A' ' 63' ' ' ILE . 24.5 ttm -81.08 140.69 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.11 130.22 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' NZ ' ' CD ' ' A' ' 93' ' ' GLU . 6.3 mtmt -129.52 174.9 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -100.16 108.63 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -45.07 -46.48 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.45 -36.96 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.1 -70.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.2 -170.25 4.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.29 -49.11 0.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.24 -22.88 3.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -110.57 136.44 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.02 -34.91 4.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.47 ' CE ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -64.93 -175.34 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.814 0.34 . . . . 0.0 110.854 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' N ' ' SD ' ' A' ' 61' ' ' MET . 26.2 ttt180 -133.61 155.78 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.581 HG23 ' HA ' ' A' ' 49' ' ' MET . 51.0 mt -119.55 155.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -128.15 150.54 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 38.9 m95 -119.03 -10.54 9.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -152.85 163.03 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -42.99 -55.03 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.14 -45.65 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.45 -43.91 76.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 38' ' ' VAL . 33.5 m -49.95 -52.83 30.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.1 -62.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -43.77 -46.77 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.93 -28.63 64.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 90' ' ' LEU . 38.0 t80 -69.82 -39.05 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -64.67 -47.39 78.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' SER . 10.2 mt -68.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.425 ' O ' HD21 ' A' ' 90' ' ' LEU . 57.4 m -44.74 -22.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 42.6 t -80.59 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -49.19 -31.8 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -67.03 -51.91 48.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.72 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -59.88 -25.11 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.42 -20.04 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -99.65 -6.7 26.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -102.97 -58.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -104.07 -47.3 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.1 -32.18 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 142.68 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.754 0.312 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -101.1 21.75 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.605 ' HB3' HG21 ' A' ' 30' ' ' VAL . 49.3 mtt180 -69.48 125.8 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.1 mt -111.45 166.03 11.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -132.96 160.31 37.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 31' ' ' VAL . 14.7 mt -141.23 124.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.438 ' CD ' ' NZ ' ' A' ' 51' ' ' LYS . 60.1 mt-10 -133.79 158.07 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -65.73 130.0 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 63' ' ' ILE . 61.6 t80 -102.24 115.44 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt -126.59 111.46 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -86.24 -39.43 16.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 100' ' ' ARG . 3.8 p-10 -85.09 142.48 38.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -3.71 12.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.3 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.498 ' O ' ' ND2' ' A' ' 98' ' ' ASN . 26.1 mmt180 -98.7 129.94 45.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -97.77 43.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 43.6 mt -124.52 100.01 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -75.42 125.49 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.32 171.51 41.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 157.2 61.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 p -115.0 157.75 23.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.3 t -135.69 156.84 48.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -174.68 156.2 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -172.28 171.47 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.11 153.98 8.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -173.5 146.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -169.62 174.12 6.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 166.95 139.97 2.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 21.7 m-20 -173.38 108.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 125.83 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 tp -164.87 135.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -152.47 128.21 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -167.03 142.37 4.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -169.51 109.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 15' ' ' LEU . 16.1 tp -126.16 111.8 15.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.595 HD12 ' C ' ' A' ' 14' ' ' LEU . 5.6 mp -152.37 129.92 11.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.17 148.91 13.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -148.42 141.06 24.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -109.18 43.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.09 91.78 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.036 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -135.9 142.29 44.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -115.77 -59.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 2.2 p-10 -136.38 116.5 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -117.83 146.02 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 4.5 mt -89.28 136.15 30.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.5 Cg_endo -69.85 0.48 5.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.628 2.219 . . . . 0.0 112.346 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.41 156.61 6.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.61 ' CD2' HG21 ' A' ' 40' ' ' ILE . 50.3 t80 -129.96 143.74 50.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p-10 -125.44 -33.53 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.56 92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 89' ' ' ARG . 8.1 p -39.2 135.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.816 HG11 ' HB2' ' A' ' 37' ' ' ALA . 24.4 t -68.26 159.27 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.498 ' N ' HG12 ' A' ' 31' ' ' VAL . 9.0 mmpt? -111.41 -41.04 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 3.1 m-20 -154.74 156.25 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.607 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -41.68 -46.82 3.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.48 -43.28 79.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.23 -36.86 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.816 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.41 -33.1 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.577 ' HA ' HG21 ' A' ' 70' ' ' THR . 53.3 t -69.03 -49.24 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -57.88 -57.59 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 27' ' ' PHE . 29.8 mt -51.01 -49.8 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.651 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.82 -62.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HD2' HG12 ' A' ' 38' ' ' VAL . 13.0 mtp85 -40.77 -40.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.26 -39.71 92.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.469 HD12 HG22 ' A' ' 92' ' ' ILE . 50.2 mt -69.56 -31.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 105.98 1.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.562 ' HA ' HG13 ' A' ' 48' ' ' VAL . 91.8 m-85 -59.92 153.73 52.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.76 156.56 92.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.319 -0.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.651 HG21 ' HB1' ' A' ' 41' ' ' ALA . 23.0 m -132.22 124.91 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.6 ttm -81.43 151.06 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.96 118.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.18 173.94 6.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -96.96 108.54 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -43.01 -47.87 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.57 -44.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -136.98 -58.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.56 -134.43 49.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.535 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.95 -28.94 13.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.95 47.88 0.86 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -161.44 136.4 7.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.52 20.08 76.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.19 176.2 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -123.22 156.95 34.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.574 HD13 ' CE1' ' A' ' 95' ' ' PHE . 70.1 mt -122.01 146.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.7 148.46 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -115.44 -14.68 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.3 161.6 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 40.9 t0 -40.98 -58.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 15.9 pt-20 -44.79 -44.39 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 25.6 mt-10 -70.57 -43.53 69.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.577 HG21 ' HA ' ' A' ' 38' ' ' VAL . 37.2 m -51.82 -48.39 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -66.74 -51.5 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.52 -34.81 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.06 -38.41 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 41.3 t80 -63.27 -30.5 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -72.13 -52.28 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.46 -57.49 6.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.7 m -50.02 -24.66 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 t -75.13 -56.54 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.43 -27.35 9.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -68.59 -66.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.661 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -52.68 -25.08 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -83.99 -43.24 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -46.29 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 97.9 m-85 -93.81 -53.16 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 152.01 -25.17 0.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 81' ' ' ALA . 16.4 m-20 -107.13 169.16 8.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -109.95 9.6 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.526 ' HB3' HG21 ' A' ' 30' ' ' VAL . 48.5 mmt-85 -55.36 118.6 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.7 mt -109.28 176.64 5.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.411 ' C ' HG13 ' A' ' 92' ' ' ILE . 16.3 mt -139.27 174.44 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 44' ' ' ILE . 50.7 mt -154.7 120.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.68 150.05 52.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -56.2 132.16 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 63' ' ' ILE . 75.7 t80 -106.07 114.87 29.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.6 mt -126.54 113.71 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.72 -51.14 5.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -93.75 157.71 37.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 157.86 59.04 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 9.9 mtp-105 -149.42 173.96 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -134.17 169.79 16.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.6 pt -111.73 163.08 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.1 t -103.39 -55.2 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.3 161.62 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 1.84 4.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.389 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.5 p -39.18 121.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 m -55.85 -52.72 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.6 m 34.6 49.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.845 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -121.33 169.13 10.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.33 176.34 44.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -159.59 168.78 25.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -171.05 153.04 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.74 169.06 32.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -169.77 124.11 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.02 128.93 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -138.52 120.62 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -174.87 108.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.5 p -136.56 127.82 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -161.99 146.98 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -108.71 40.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -171.87 109.15 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.72 63.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.077 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -145.24 150.77 37.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -95.5 -50.5 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.05 131.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -89.6 136.05 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 22' ' ' ASN . 8.4 p -89.12 159.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' N ' HG22 ' A' ' 21' ' ' VAL . 63.2 t30 -98.32 -43.32 6.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 p -128.38 179.96 5.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 25' ' ' PRO . 43.9 mt -61.55 137.38 94.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.79 79.64 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.75 -161.29 49.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.907 ' CE2' HG21 ' A' ' 40' ' ' ILE . 49.3 t80 -171.13 134.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.14 -29.37 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -38.29 103.63 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG11 ' HE ' ' A' ' 89' ' ' ARG . 61.3 t -52.35 138.15 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.724 HG11 ' HB2' ' A' ' 37' ' ' ALA . 11.5 t -78.12 149.45 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' C ' ' A' ' 31' ' ' VAL . 7.4 mmpt? -101.29 -40.13 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -152.62 152.9 32.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.549 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.1 -49.38 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -52.19 -48.67 64.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.44 -39.25 86.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.724 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -56.55 -40.81 75.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.63 -55.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -52.47 55.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.907 HG21 ' CE2' ' A' ' 27' ' ' PHE . 61.0 mt -56.33 -44.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -61.68 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -41.61 -35.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.72 -53.73 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 27' ' ' PHE . 69.0 mt -55.07 -47.57 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.91 105.55 2.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -60.16 153.75 55.27 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 159.38 89.87 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.361 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 46' ' ' TYR . 22.2 m -131.84 125.77 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.5 ttm -89.01 138.74 31.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 91' ' ' LEU . 19.3 mt -117.48 134.18 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' LEU . 5.7 mtmt -133.41 152.89 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -80.09 114.05 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.091 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -46.51 -49.77 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . -40.37 -32.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.048 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -171.04 57.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -66.15 -142.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.445 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.99 -38.55 3.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.75 41.9 0.9 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -92.49 33.02 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.15 23.95 4.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.443 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -64.54 -176.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.443 ' N ' ' HG2' ' A' ' 61' ' ' MET . 34.7 ttm-85 -112.93 156.79 22.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.616 HD13 ' CE2' ' A' ' 95' ' ' PHE . 30.3 mt -128.5 146.97 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.85 155.47 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.509 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.9 m95 -122.01 -25.8 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.53 165.3 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.67 -49.18 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.63 -45.32 70.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.55 -41.2 89.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.1 m -55.73 -54.87 39.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -59.37 -55.2 37.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -37.01 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.98 -27.04 59.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.632 ' CD1' HD12 ' A' ' 90' ' ' LEU . 21.3 t80 -73.65 -33.66 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -70.62 -42.92 70.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.88 -62.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.5 m -50.73 -23.47 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -70.56 -56.55 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -51.81 -40.41 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.48 -70.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.729 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.73 -35.25 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.22 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 48.3 t -103.25 -62.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 88.0 p -34.85 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.537 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 97.9 m-85 -106.89 -51.0 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.95 -30.75 1.9 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -100.91 145.1 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -90.67 16.45 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.44 ' HE ' HG11 ' A' ' 30' ' ' VAL . 24.9 mmm-85 -63.42 128.04 34.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.632 HD12 ' CD1' ' A' ' 74' ' ' PHE . 16.6 mt -117.53 174.89 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 50' ' ' ILE . 32.0 mt -144.73 158.58 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.457 HD11 HG21 ' A' ' 31' ' ' VAL . 26.3 mt -139.68 127.07 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -134.67 156.81 48.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HD3' HG22 ' A' ' 44' ' ' ILE . 23.4 tptp -68.2 132.01 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.616 ' CE2' HD13 ' A' ' 63' ' ' ILE . 6.8 t80 -103.71 115.15 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.7 mt -130.92 112.12 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -75.68 -35.52 60.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.428 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 3.3 t30 -156.69 140.51 11.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 53.8 Cg_endo -69.76 176.03 7.32 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.31 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -168.45 143.34 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -44.68 169.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.502 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.7 pp -74.05 159.35 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -155.28 161.6 41.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.35 146.76 18.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.34 37.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 0.0 112.324 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.9 p -143.79 106.58 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.4 t -166.9 158.97 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p 63.52 33.71 13.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -127.27 151.55 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.09 105.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -150.16 121.13 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -150.82 162.41 40.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 153.58 127.29 1.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 26.1 m-20 -163.54 127.38 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -140.86 149.96 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 tt -174.5 135.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -166.95 120.52 1.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -147.21 116.86 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -125.75 157.27 37.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tt -171.8 130.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.52 115.31 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.76 120.25 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.06 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 140.18 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -151.75 143.27 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.79 173.25 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -148.45 146.32 28.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -118.66 115.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -71.98 91.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 t -163.93 175.54 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -57.43 133.64 81.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.657 0.741 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 4.28 2.28 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.627 2.218 . . . . 0.0 112.388 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.47 -155.02 19.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 56.9 t80 -170.71 146.26 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -128.93 -31.42 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.569 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.57 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 89' ' ' ARG . 9.0 p -44.47 140.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.649 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.4 t -83.28 161.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' N ' HG12 ' A' ' 31' ' ' VAL . 31.0 mmtt -110.62 -44.75 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.26 161.65 38.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.1 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.57 -43.25 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.4 -36.17 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.649 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -66.22 -30.09 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.38 -41.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -65.51 -55.29 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 27' ' ' PHE . 60.0 mt -53.55 -46.35 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.13 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.1 mtp-105 -44.96 -44.0 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.74 -43.49 96.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mt -62.07 -41.83 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.19 94.92 2.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.539 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 82.3 m-85 -48.96 154.08 1.36 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 110.936 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.79 162.54 84.0 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.341 -0.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 46' ' ' TYR . 35.3 m -136.28 123.11 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.51 ' HA ' HG23 ' A' ' 63' ' ' ILE . 30.0 ttm -84.03 128.52 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.77 130.88 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -131.72 179.32 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.44 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.2 t -54.21 -44.35 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.96 -34.47 20.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -147.49 -60.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.548 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 52.71 -144.63 21.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.48 -38.03 3.51 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.38 16.44 7.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -69.47 -71.34 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.69 42.48 1.53 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.495 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -91.97 -174.88 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.321 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.495 ' N ' ' SD ' ' A' ' 61' ' ' MET . 20.4 ttt180 -135.81 152.83 51.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.522 HD13 ' CE2' ' A' ' 95' ' ' PHE . 41.4 mt -111.95 148.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.26 146.14 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.445 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 61.8 m95 -114.93 -28.19 7.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -134.22 166.35 22.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -48.3 -56.48 7.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.09 -34.47 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -73.12 -45.85 54.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.41 HG21 ' C ' ' A' ' 37' ' ' ALA . 54.2 m -49.75 -46.75 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -66.78 -58.39 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -45.51 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.51 -30.09 54.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.4 t80 -69.03 -38.05 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -62.94 -42.82 99.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.96 -63.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.419 ' C ' HD21 ' A' ' 90' ' ' LEU . 9.3 m -40.57 -44.31 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.7 t -61.17 -48.67 80.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -60.4 -35.51 75.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.81 -52.19 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.528 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -50.92 -41.02 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -54.39 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -52.4 -40.08 61.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -55.29 -73.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.416 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 71.4 m-85 -99.4 -49.58 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 152.8 -42.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -84.71 160.31 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -108.75 21.17 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.5 ' HB3' HG21 ' A' ' 30' ' ' VAL . 89.9 mtt-85 -66.26 121.78 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 74' ' ' PHE . 14.7 mt -106.41 168.32 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.0 mt -135.46 166.42 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.4 mt -149.22 121.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -129.19 154.2 46.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -67.03 130.45 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.522 ' CE2' HD13 ' A' ' 63' ' ' ILE . 3.5 t80 -100.49 120.14 39.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.4 mt -133.72 121.7 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -92.7 -68.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -59.8 157.23 30.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.638 0.733 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 155.05 66.87 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.278 . . . . 0.0 112.32 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -145.57 167.14 23.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -111.64 120.75 43.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' SER . 31.4 pt -114.22 39.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' ILE . 85.5 p -35.54 -57.07 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.14 85.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 144.79 54.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.4 m -94.54 -53.18 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.0 t -68.04 88.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -173.8 140.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -165.47 175.45 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.79 166.1 38.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -171.16 173.15 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.8 p -173.3 152.01 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.39 -152.98 6.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -147.7 136.59 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 144.39 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 tt -133.06 82.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -162.1 109.71 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -137.09 107.46 6.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -171.58 134.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.6 mt -116.74 39.01 3.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 tp -95.99 99.56 11.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.29 152.28 47.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.91 167.24 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.86 -38.61 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.12 122.85 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.24 34.76 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 23' ' ' THR . 35.5 m -121.81 39.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' VAL . 10.2 t-20 -34.52 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 21' ' ' VAL . 11.5 p -134.15 172.01 13.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 26' ' ' GLY . 5.2 mt -78.8 132.85 63.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 4.89 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.264 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' H ' HG22 ' A' ' 24' ' ' ILE . . . 151.31 119.19 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 16.7 t80 -68.87 77.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLY . 64.5 m-20 -41.86 -41.55 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.6 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.16 109.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.2 p -63.79 130.88 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.775 HG11 ' HB2' ' A' ' 37' ' ' ALA . 19.4 t -65.89 157.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -103.74 -42.08 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.15 159.48 44.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.17 -51.19 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -51.57 -41.88 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' HD12 ' A' ' 40' ' ' ILE . 31.1 tt0 -70.57 -33.68 71.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.775 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -65.04 -34.55 78.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 70' ' ' THR . 77.4 t -67.95 -49.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -60.69 -47.92 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.543 HG21 ' CD2' ' A' ' 27' ' ' PHE . 96.8 mt -63.83 -40.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.569 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -61.35 -47.24 86.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -55.33 -36.94 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.29 -39.72 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 27' ' ' PHE . 39.0 mt -68.04 -33.78 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.73 111.89 3.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CD1' HG22 ' A' ' 48' ' ' VAL . 87.9 m-85 -68.43 153.69 95.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.907 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.79 154.62 93.42 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 -1.822 . . . . 0.0 112.353 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG21 ' HB1' ' A' ' 41' ' ' ALA . 29.4 m -122.98 123.05 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.509 ' HA ' HG23 ' A' ' 63' ' ' ILE . 47.8 ttm -79.89 130.12 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -117.65 114.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 169.44 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.656 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -87.88 114.5 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.421 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 2.6 t -45.85 -39.58 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . . . -79.07 55.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 57' ' ' GLY . . . 113.51 43.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -46.23 90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . -108.13 131.48 10.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.66 -26.84 0.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -96.9 153.55 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.1 -50.14 4.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.447 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 61' ' ' MET . 3.4 ppp? -53.56 -174.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.446 ' O ' ' HE1' ' A' ' 61' ' ' MET . 15.3 ttm-85 -141.92 157.51 44.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.509 HG23 ' HA ' ' A' ' 49' ' ' MET . 50.2 mt -122.24 143.85 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.96 149.23 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.534 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.5 m95 -115.31 -29.41 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.26 167.34 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.49 -56.4 7.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.99 -37.81 21.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.35 -42.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.474 HG21 ' HA ' ' A' ' 38' ' ' VAL . 58.8 m -50.49 -53.02 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.423 ' HE ' HG21 ' A' ' 38' ' ' VAL . 98.2 mtt180 -60.19 -58.36 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -50.56 -36.95 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.79 -36.37 32.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.611 ' CD2' HD12 ' A' ' 90' ' ' LEU . 26.7 t80 -66.6 -39.94 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -62.79 -49.46 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -71.53 -62.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -46.67 -21.95 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -76.57 -61.27 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.49 -30.55 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.41 -60.79 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.656 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -57.68 -27.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' SER . 13.6 t -102.83 -56.32 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 45.9 t -35.11 -48.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 90.6 m-85 -115.66 -50.62 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.07 -19.79 2.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.697 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -113.86 136.93 52.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -84.23 -11.53 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 35.7 mtt85 -43.5 116.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.611 HD12 ' CD2' ' A' ' 74' ' ' PHE . 11.8 mt -100.23 173.95 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 50.2 mt -140.72 161.76 37.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.491 HG22 HD12 ' A' ' 44' ' ' ILE . 38.3 mt -143.63 126.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -138.54 142.41 39.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -56.48 129.72 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.453 ' CE2' HD13 ' A' ' 63' ' ' ILE . 18.9 t80 -105.97 121.46 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 98' ' ' ASN . 15.2 mt -129.63 104.36 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -53.66 -60.16 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.42 ' O ' HG22 ' A' ' 96' ' ' ILE . 1.9 p-10 -70.2 143.78 91.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -2.89 10.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.86 142.45 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -54.58 -72.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.32 93.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.4 t -41.29 -53.96 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 136.75 77.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 111.78 2.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.7 p -65.19 -43.38 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t 66.93 42.2 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -165.34 150.23 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -174.94 149.83 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.06 142.3 8.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -169.98 121.1 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 t -109.53 -61.54 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.61 83.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -119.33 122.68 42.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -173.49 147.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.0 tt -173.1 140.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -174.15 152.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.2 t -162.01 117.61 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -154.75 175.68 13.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 mt -131.18 41.07 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 tp -159.82 115.13 2.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.3 115.93 25.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -105.09 102.09 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -72.34 -12.25 61.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.46 103.17 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -115.16 137.18 52.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -116.55 112.39 39.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' O ' HG23 ' A' ' 23' ' ' THR . 0.7 OUTLIER -119.35 57.83 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 22' ' ' ASN . 20.8 p -155.77 120.87 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -97.7 127.23 38.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.87 12.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.06 -159.27 10.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CE2' HD13 ' A' ' 40' ' ' ILE . 35.4 t80 -170.85 136.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.97 -31.47 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -41.22 101.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.6 p -52.95 133.09 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 111.149 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 32' ' ' LYS . 11.5 t -66.97 164.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.2 mmpt? -112.37 -34.81 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 2.3 m-20 -162.44 164.34 27.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB1' ' HG2' ' A' ' 71' ' ' ARG . . . -44.92 -51.27 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.04 -52.86 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -60.06 -40.21 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -56.73 -35.72 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.434 ' HA ' HG21 ' A' ' 70' ' ' THR . 76.1 t -72.48 -46.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 -58.76 -52.91 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.599 HD13 ' CE2' ' A' ' 27' ' ' PHE . 75.2 mt -60.54 -47.24 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.641 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -54.21 -53.86 47.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -49.97 -40.05 42.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -64.0 -42.73 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.5 -39.67 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.17 102.74 2.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 88.4 m-85 -56.14 153.93 16.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.944 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.82 158.76 90.84 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.334 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.641 HG21 ' HB1' ' A' ' 41' ' ' ALA . 26.8 m -132.62 124.17 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.672 ' HA ' HG23 ' A' ' 63' ' ' ILE . 25.7 ttm -83.29 135.01 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.1 mt -117.19 119.35 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 175.7 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -95.42 118.22 31.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -53.23 -32.87 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.89 99.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.51 71.63 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.66 -100.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.33 -64.04 2.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' LYS . . . 143.85 -100.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' GLY . 20.4 mmtp -37.02 103.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.48 -42.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -70.02 -175.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 110.91 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.492 ' N ' ' SD ' ' A' ' 61' ' ' MET . 32.0 ttt180 -130.66 152.91 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.672 HG23 ' HA ' ' A' ' 49' ' ' MET . 19.7 mt -114.35 148.18 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.95 152.32 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.503 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 54.6 m95 -120.38 -15.28 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -151.75 168.56 24.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.47 -45.36 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.68 -47.54 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.36 -33.99 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.434 HG21 ' HA ' ' A' ' 38' ' ' VAL . 53.9 m -56.63 -56.35 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.574 ' HG2' ' HB1' ' A' ' 34' ' ' ALA . 57.1 mtt-85 -61.86 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -46.23 56.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.92 -28.21 65.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.9 t80 -72.28 -39.04 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -64.09 -45.31 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.42 -56.98 4.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.444 ' O ' HD21 ' A' ' 90' ' ' LEU . 47.2 m -49.65 -20.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -76.66 -53.25 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.11 -28.33 66.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.07 -62.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.606 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.6 -41.92 22.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -62.29 -73.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -47.37 -35.79 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -67.09 -74.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -98.69 -44.71 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 140.08 -43.45 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.59 116.58 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.03 2.97 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -52.81 126.67 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 74' ' ' PHE . 26.9 mt -108.74 177.07 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.5 mt -143.97 160.3 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -141.7 126.75 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -136.65 152.78 50.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.85 133.37 54.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 63' ' ' ILE . 55.9 t80 -108.79 111.88 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -122.24 107.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -95.97 -30.98 13.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.431 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 4.7 t-20 -95.51 140.06 22.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 53.6 Cg_endo -69.81 -2.68 10.61 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 tpt85 -107.64 101.87 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -42.17 141.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mp -87.17 -53.3 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.9 m -38.12 106.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.06 83.2 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.02 22.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.3 p -152.17 120.37 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.5 t -106.88 132.43 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -86.83 172.8 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -120.24 -58.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.39 -136.44 8.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' SER . 37.1 p -112.46 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 26.9 m -36.03 -62.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.07 41.94 1.73 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 3.9 p-10 -167.8 110.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.8 127.14 46.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 mm -80.62 116.99 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -170.5 166.07 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t 52.57 43.15 31.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -54.58 118.57 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 tp -91.36 105.31 17.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 mt 44.85 40.05 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 80.32 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -121.31 152.52 38.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -107.69 138.24 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.03 132.0 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -83.36 157.85 22.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.13 152.47 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -82.5 -62.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -168.42 177.34 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.596 HG22 ' H ' ' A' ' 26' ' ' GLY . 9.1 mt -92.58 121.99 65.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.663 0.744 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -3.43 11.92 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.596 ' H ' HG22 ' A' ' 24' ' ' ILE . . . 162.68 109.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 39.0 t80 -59.78 89.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 21.8 m-20 -61.38 -41.66 97.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.599 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.18 109.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.5 p -62.61 136.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 37' ' ' ALA . 8.6 t -71.39 160.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.5 mmtp -112.26 -44.45 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -141.38 161.83 36.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -52.65 -47.41 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -54.41 -42.28 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' ' CD1' ' A' ' 40' ' ' ILE . 37.5 tt0 -68.53 -36.42 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -64.25 -36.63 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 70' ' ' THR . 99.0 t -67.44 -51.6 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -57.49 -49.22 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 27' ' ' PHE . 69.9 mt -59.17 -52.44 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -50.83 -47.68 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -54.62 -36.56 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -67.42 -40.72 85.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.535 HD11 ' HB3' ' A' ' 27' ' ' PHE . 51.5 mt -66.9 -37.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.96 102.23 2.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.549 ' HA ' HG13 ' A' ' 48' ' ' VAL . 80.4 m-85 -58.67 153.9 38.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.76 155.26 93.33 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.359 -0.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.784 HG21 ' HB1' ' A' ' 41' ' ' ALA . 17.7 m -129.82 125.61 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.3 ttm -84.12 148.66 26.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 91' ' ' LEU . 56.4 mt -128.91 113.43 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 165.68 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -86.61 112.54 21.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -42.17 -44.94 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . -49.95 -54.82 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.93 62.62 0.39 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -69.07 -106.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.77 45.74 54.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.73 66.39 2.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.0 86.14 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.51 41.78 9.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.461 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -84.03 -175.35 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.322 . . . . 0.0 110.871 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' N ' ' HG2' ' A' ' 61' ' ' MET . 20.0 ttt180 -120.74 151.46 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 95' ' ' PHE . 21.9 mt -122.83 142.03 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.74 151.66 35.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.59 -11.51 10.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -152.41 158.39 42.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -39.27 -55.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 12.4 pt-20 -45.74 -48.27 15.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 23.0 mt-10 -66.54 -41.94 87.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.586 HG21 ' HA ' ' A' ' 38' ' ' VAL . 62.3 m -54.63 -41.41 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -70.83 -55.67 8.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.16 -40.63 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.408 ' CA ' HH11 ' A' ' 62' ' ' ARG . . . -73.89 -35.33 54.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CD1' HD12 ' A' ' 90' ' ' LEU . 50.4 t80 -64.26 -41.26 97.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -64.89 -47.52 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.86 -56.73 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -52.5 -46.77 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.1 p -56.55 -43.17 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -63.19 -36.83 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 84' ' ' SER . 51.2 mm-40 -67.0 -61.77 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.33 -31.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.415 ' O ' ' CA ' ' A' ' 86' ' ' GLY . . . -58.58 -69.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 m -79.79 -49.76 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 83' ' ' SER . 8.6 t -36.12 -64.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 84.4 m-85 -100.94 -52.37 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 82' ' ' ALA . . . 150.26 -17.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.448 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 4.4 m-20 -121.33 135.28 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.23 -9.71 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.3 mtt85 -45.46 134.98 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.4 mt -120.23 170.22 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 17.1 mt -135.62 166.55 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 31' ' ' VAL . 41.7 mt -146.7 116.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -125.77 155.03 41.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -69.06 134.36 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 63' ' ' ILE . 9.0 t80 -108.12 113.29 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.0 mt -124.42 112.97 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.18 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 100' ' ' ARG . 13.1 p-10 -54.98 149.57 23.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.89 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -1.28 8.26 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.427 ' O ' ' ND2' ' A' ' 98' ' ' ASN . 5.8 mmt85 -123.16 159.95 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -65.23 179.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 68.8 mt -107.44 -64.34 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 t 65.13 41.32 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.38 83.34 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 138.61 38.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.223 . . . . 0.0 112.379 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 m -101.78 -178.21 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -41.11 158.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -112.75 172.2 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 p -164.54 162.01 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.96 -138.44 2.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 t -161.02 140.01 10.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -155.4 116.77 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.41 112.74 0.39 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -155.24 160.52 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -115.52 118.84 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.5 mt -101.25 -49.46 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.99 174.25 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t 72.72 40.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -107.74 57.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.7 mt -92.21 112.45 24.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -171.8 138.4 1.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.51 89.04 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -139.99 113.03 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -143.32 120.28 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.05 112.66 21.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -101.17 147.02 26.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 22' ' ' ASN . 8.3 p -94.82 158.99 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' N ' HG22 ' A' ' 21' ' ' VAL . 55.3 m-80 -43.37 147.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 p -118.88 159.27 24.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.899 HG22 ' H ' ' A' ' 26' ' ' GLY . 83.1 mt -100.17 123.9 45.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.6 0.714 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.95 3.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.899 ' H ' HG22 ' A' ' 24' ' ' ILE . . . 136.96 127.8 2.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.684 ' CE2' HG21 ' A' ' 40' ' ' ILE . 70.8 t80 -112.71 114.83 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' GLY . 18.4 p-10 -92.99 -33.91 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.586 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.33 105.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.4 135.75 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.876 HG11 ' HB2' ' A' ' 37' ' ' ALA . 17.0 t -74.34 147.84 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -97.24 -39.1 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.45 172.75 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.77 81.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.24 -54.42 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.71 -31.33 68.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.876 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -67.62 -32.1 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.62 HG12 ' HD2' ' A' ' 42' ' ' ARG . 69.9 t -72.7 -48.19 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.48 -54.9 41.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.684 HG21 ' CE2' ' A' ' 27' ' ' PHE . 61.5 mt -55.9 -53.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.613 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.01 -45.68 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.62 ' HD2' HG12 ' A' ' 38' ' ' VAL . 22.8 mtt180 -56.4 -32.24 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -73.47 -40.87 63.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 27' ' ' PHE . 15.7 mt -61.58 -39.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.23 92.87 1.97 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.531 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 96.4 m-85 -43.82 153.17 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.74 158.58 90.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.128 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.613 HG21 ' HB1' ' A' ' 41' ' ' ALA . 27.0 m -134.01 123.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.434 ' HA ' HG23 ' A' ' 63' ' ' ILE . 40.4 ttm -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.1 mt -115.34 113.65 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.17 168.69 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.584 ' HA ' HD23 ' A' ' 90' ' ' LEU . . . -90.49 112.03 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.413 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.4 t -47.87 -40.76 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -45.75 -46.05 14.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -133.21 -61.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.41 -160.47 36.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 112.75 -38.97 3.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.47 51.64 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.25 -53.01 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.55 45.83 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.483 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -101.45 179.01 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.492 HH11 HD12 ' A' ' 76' ' ' LEU . 14.0 ttt180 -126.04 156.46 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.631 HD13 ' CE2' ' A' ' 95' ' ' PHE . 36.0 mt -118.51 147.13 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.86 147.76 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.492 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.6 m95 -119.63 -14.12 9.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -148.6 169.86 19.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -52.35 -50.91 61.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.41 -42.07 66.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.86 -37.44 73.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.504 HG21 ' HA ' ' A' ' 38' ' ' VAL . 25.0 m -54.99 -56.74 16.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -59.11 -58.54 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.0 -47.82 21.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.92 -37.02 74.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CD2' HD12 ' A' ' 90' ' ' LEU . 23.8 t80 -63.65 -44.38 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -61.72 -42.6 99.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.492 HD12 HH11 ' A' ' 62' ' ' ARG . 30.0 mt -73.09 -60.93 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 m -46.99 -32.09 3.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -66.51 -51.74 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -63.59 -63.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -49.05 -42.05 37.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.88 -32.55 14.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.8 t -96.28 -45.28 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -46.44 -64.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 70.7 m-85 -105.89 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.15 -31.12 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -96.49 157.2 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 27.44 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 12.9 mmt180 -67.79 147.85 52.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 52' ' ' ALA . 43.4 mt -136.38 175.33 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 77.2 mt -144.67 162.25 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 44' ' ' ILE . 21.4 mt -140.64 119.87 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -135.3 141.12 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -50.01 128.04 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.631 ' CE2' HD13 ' A' ' 63' ' ' ILE . 32.6 t80 -94.14 106.69 18.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -121.07 98.08 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 26.9 t70 -83.81 35.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -158.35 157.84 29.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -3.47 12.1 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -44.89 147.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -147.5 146.62 29.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.3 tt -104.57 152.49 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -128.69 162.65 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.86 82.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -22.55 31.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.0 t -46.3 151.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 t -154.41 138.87 16.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -170.25 160.85 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -172.09 166.81 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.0 -170.53 18.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 p -170.9 150.15 3.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -160.0 162.64 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.7 100.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -150.92 165.57 33.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -132.14 127.5 36.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.9 tt -164.33 140.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.49 106.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 p -133.68 -177.78 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 mttt 50.86 54.42 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.79 4.3 10.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -97.88 115.23 27.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.29 95.98 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -168.77 129.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -169.62 109.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.05 92.15 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -136.79 143.33 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 22' ' ' ASN . 7.5 p -87.08 -43.23 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' N ' HG13 ' A' ' 21' ' ' VAL . 36.1 p-10 -88.45 120.44 29.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -155.09 174.89 14.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 mt -120.76 128.52 25.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.133 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -4.24 13.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.04 -155.82 13.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 51.5 t80 -173.36 127.77 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.4 m-20 -106.18 -43.9 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.09 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 89' ' ' ARG . 2.7 p -48.45 142.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' HB2' ' A' ' 37' ' ' ALA . 17.0 t -71.1 156.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' N ' HG12 ' A' ' 31' ' ' VAL . 8.9 mmpt? -104.18 -45.33 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -152.39 156.42 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.44 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -38.81 -48.45 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.18 -50.81 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.92 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -68.56 -46.78 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -58.48 -56.68 19.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.456 HG21 ' CD2' ' A' ' 27' ' ' PHE . 29.3 mt -50.82 -52.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -48.09 -58.19 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -45.56 -46.9 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -56.29 -43.99 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.01 106.83 3.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.545 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 95.4 m-85 -58.11 152.77 38.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.948 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.77 158.68 90.77 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.387 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 41' ' ' ALA . 29.5 m -132.23 126.66 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.0 ttm -88.05 140.14 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 91' ' ' LEU . 38.9 mt -120.92 134.13 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LEU . 9.6 mtmt -133.36 155.33 49.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -78.71 110.74 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 89' ' ' ARG . 1.3 t -46.0 -37.33 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.02 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -163.38 62.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -59.68 147.28 43.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.521 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 58' ' ' GLY . . . -163.76 102.05 0.2 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' GLY . . . -34.84 -40.96 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -90.22 100.72 13.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.06 -45.69 1.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.543 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.303 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -123.3 156.01 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.771 HD13 ' CD2' ' A' ' 95' ' ' PHE . 65.1 mt -120.29 146.73 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.83 146.81 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.494 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 56.6 m95 -114.73 -22.39 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -140.27 165.8 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.69 -54.99 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.46 ' N ' HH21 ' A' ' 71' ' ' ARG . 7.4 pt-20 -50.36 -43.55 54.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.84 -42.6 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.9 m -57.02 -48.96 77.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.46 HH21 ' N ' ' A' ' 68' ' ' GLU . 54.6 mtm180 -63.97 -48.74 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.94 -44.95 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.74 -31.78 57.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CD2' HD12 ' A' ' 90' ' ' LEU . 25.0 t80 -64.06 -38.47 91.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 15.3 mtp-105 -63.1 -49.84 72.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.05 -55.02 10.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.592 ' O ' HD21 ' A' ' 90' ' ' LEU . 8.2 t -51.81 -28.14 14.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 t -81.01 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.44 -28.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.36 -66.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.682 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -46.72 -38.81 10.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.05 -62.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' SER . 25.6 p -73.96 -49.47 24.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' SER . 11.0 m -37.11 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 75.6 m-85 -95.15 -52.52 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.38 -31.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.37 161.47 13.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.29 18.04 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HB3' HG21 ' A' ' 30' ' ' VAL . 85.3 mtt-85 -62.88 118.92 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.592 HD21 ' O ' ' A' ' 77' ' ' SER . 16.2 mt -104.89 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' LYS . 30.2 mt -141.28 162.85 34.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.1 mt -141.08 133.83 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -140.93 162.58 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -77.03 130.8 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.771 ' CD2' HD13 ' A' ' 63' ' ' ILE . 11.1 t80 -105.26 119.93 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.9 mt -130.35 111.25 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -57.63 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.87 153.66 93.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.61 12.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 62.85 48.14 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -62.84 -43.15 99.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.0 mm -71.27 111.32 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 m -125.59 110.49 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -95.75 146.68 18.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.0 12.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t -77.78 152.07 33.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.8 p -170.93 115.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -168.06 166.39 13.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 p -173.74 171.24 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.33 173.32 44.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -152.49 138.21 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.816 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -174.54 145.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.96 147.11 13.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -163.26 149.05 11.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -161.54 112.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 10' ' ' ILE . 7.5 tp -151.09 122.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -162.45 138.89 7.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -150.42 108.79 3.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -117.55 123.54 46.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mt -114.16 81.01 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' C ' HD12 ' A' ' 15' ' ' LEU . 2.8 pp -155.16 161.51 41.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.34 96.58 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -168.35 127.37 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -140.36 167.38 22.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.77 156.96 22.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -63.77 144.64 56.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.32 155.74 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -109.02 38.94 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.4 t -115.26 -175.14 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 26' ' ' GLY . 5.4 mt -74.05 130.83 82.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.733 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 5.47 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.473 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -165.2 -162.9 17.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.965 ' CE2' HG21 ' A' ' 40' ' ' ILE . 85.5 t80 -173.8 132.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 68.3 m-20 -115.6 -33.45 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.556 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.22 102.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.74 129.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.815 HG11 ' HB2' ' A' ' 37' ' ' ALA . 3.8 t -70.63 157.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -128.98 -35.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.5 144.94 36.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.587 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -43.76 -41.65 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.22 -39.42 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.5 tp10 -72.42 -32.97 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.815 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -65.36 -37.67 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.438 ' HA ' HG21 ' A' ' 70' ' ' THR . 51.9 t -67.36 -51.04 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -53.43 -54.13 41.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.965 HG21 ' CE2' ' A' ' 27' ' ' PHE . 28.0 mt -57.16 -46.65 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.474 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -57.37 -60.76 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.414 ' HD2' HG12 ' A' ' 38' ' ' VAL . 55.9 mtp180 -42.41 -36.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.91 -51.23 42.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -58.9 -39.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.39 113.44 3.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HA ' HG13 ' A' ' 48' ' ' VAL . 88.6 m-85 -66.15 153.58 91.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.751 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.77 155.14 93.42 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.346 -0.055 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 46' ' ' TYR . 15.6 m -130.1 126.55 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.43 ' HA ' HG23 ' A' ' 63' ' ' ILE . 3.3 ttm -84.02 146.01 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt -127.37 120.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.47 175.99 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.77 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -102.49 98.25 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.089 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 3.2 t -37.01 -29.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 85' ' ' PHE . . . -90.69 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . 130.12 46.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.1 -104.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.41 -40.13 3.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.6 48.56 7.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.54 -44.48 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.05 19.94 4.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -175.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.426 ' NH2' ' O ' ' A' ' 63' ' ' ILE . 6.3 ttp85 -119.47 154.33 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' CE2' ' A' ' 95' ' ' PHE . 38.7 mt -126.75 142.01 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.56 156.7 26.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.451 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.0 m95 -122.46 -20.06 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.72 162.04 37.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -43.33 -50.66 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -52.26 -46.51 65.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' NH2' ' A' ' 62' ' ' ARG . 30.9 mt-10 -66.17 -41.37 90.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 38' ' ' VAL . 95.4 m -51.57 -54.02 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -62.08 -58.59 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.18 -40.32 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.19 -38.02 27.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.636 ' CD1' HD12 ' A' ' 90' ' ' LEU . 56.0 t80 -60.29 -31.11 69.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 22.4 mtp85 -73.42 -44.81 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.37 -64.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.2 m -47.2 -23.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.1 t -77.58 -48.04 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' ARG . 24.4 mt-30 -60.21 -31.01 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -69.52 -64.99 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -52.99 -37.49 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.3 -22.29 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.6 t -109.31 -66.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' SER . 3.8 p -34.67 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 10.5 m-85 -121.77 -51.01 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.57 -40.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 145.47 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.18 8.56 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.468 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 58.7 mtt85 -53.71 116.86 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.636 HD12 ' CD1' ' A' ' 74' ' ' PHE . 27.7 mt -109.33 161.25 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 mt -131.06 161.52 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.15 130.26 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -137.21 156.59 48.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -64.16 134.11 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 63' ' ' ILE . 22.8 t80 -109.38 118.65 37.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.7 mt -130.65 120.94 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -103.21 -38.83 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 3.4 t-20 -90.78 140.17 26.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 53.2 Cg_endo -69.78 174.89 8.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -155.42 171.23 20.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -119.71 145.16 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.695 ' H ' HD12 ' A' ' 102' ' ' ILE . 5.0 mp -67.93 137.88 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.9 m -140.11 176.56 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.49 83.88 0.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 2.74 3.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.3 m -77.96 130.11 36.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.8 m -155.72 158.92 39.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.477 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -109.66 149.99 28.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -154.25 170.8 20.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.18 85.83 0.58 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -89.44 86.6 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -113.3 139.49 48.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.52 120.66 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.82 163.59 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.84 48.06 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 5.1 tt 39.88 49.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.71 128.34 36.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.6 p -161.23 144.25 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -115.38 102.1 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 15' ' ' LEU . 1.8 pt? -78.77 5.82 10.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD12 HD23 ' A' ' 14' ' ' LEU . 9.4 mp -73.45 110.2 7.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.99 132.92 55.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -147.16 149.99 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -144.34 120.52 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -172.77 120.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -133.19 89.21 2.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -102.56 149.5 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -108.76 89.58 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -118.2 -175.86 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 26' ' ' GLY . 23.9 mt -72.59 125.45 91.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.32 2.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.658 ' H ' HG22 ' A' ' 24' ' ' ILE . . . 159.01 141.75 3.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 89.2 t80 -112.71 97.8 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -83.77 18.31 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.6 ' O ' HD23 ' A' ' 91' ' ' LEU . . . -78.34 -157.69 10.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.54 144.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.704 HG11 ' HB2' ' A' ' 37' ' ' ALA . 16.1 t -98.85 144.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -95.09 -48.2 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -145.3 157.67 44.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.614 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.61 -48.59 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -48.33 -55.59 10.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 40' ' ' ILE . 4.1 tp10 -56.45 -39.86 73.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.704 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -55.7 -38.77 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 ' HD2' ' A' ' 42' ' ' ARG . 53.1 t -65.01 -52.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 -54.69 -52.65 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' A' ' 36' ' ' GLU . 47.6 mt -56.61 -46.34 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -58.32 -51.66 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.597 ' HD2' HG12 ' A' ' 38' ' ' VAL . 19.6 mtt180 -50.99 -37.72 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.62 -41.95 87.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.476 HG22 ' HD3' ' A' ' 94' ' ' LYS . 85.4 mt -67.94 -36.27 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.53 98.58 1.99 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 82.9 m-85 -48.67 153.72 1.35 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.79 163.1 82.79 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.485 HG22 ' CD1' ' A' ' 46' ' ' TYR . 33.7 m -135.49 123.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.4 ttm -87.38 135.77 33.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.9 mt -116.36 133.43 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HB2' ' HZ2' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -131.59 158.28 41.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -76.79 118.89 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.429 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t -49.32 -48.25 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . . . -48.96 -42.48 37.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.96 68.95 0.29 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -73.64 -130.34 0.17 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.488 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.11 -82.66 0.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 148.22 62.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -115.46 -48.23 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.59 43.81 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.485 ' HE3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -87.19 -176.4 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.894 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 61' ' ' MET . 11.5 ttm-85 -114.83 157.87 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.687 HD13 ' CE2' ' A' ' 95' ' ' PHE . 42.9 mt -130.78 141.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.66 151.18 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.421 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 63.8 m95 -118.64 -18.42 9.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -148.36 160.51 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -41.99 -46.06 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -53.82 -48.09 70.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -68.2 -48.9 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.447 HG21 ' HA ' ' A' ' 38' ' ' VAL . 86.8 m -40.61 -45.35 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -72.36 -47.06 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.06 -50.01 49.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.45 -33.34 61.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 90' ' ' LEU . 72.1 t80 -63.91 -41.76 97.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.95 -44.32 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.02 -62.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.428 ' C ' HD21 ' A' ' 90' ' ' LEU . 47.0 m -44.0 -26.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -70.72 -59.09 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -57.78 -36.72 72.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -57.66 -54.98 40.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -35.99 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.02 -58.94 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -68.12 -12.34 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.4 m -88.54 -60.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -118.13 -43.79 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.67 -23.7 3.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.646 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 2.4 m-20 -88.87 96.26 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' ARG . 10.0 p-10 -55.48 -23.87 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' ASP . 27.1 mtm180 -36.2 152.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -131.57 172.32 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 29' ' ' GLY . 79.7 mt -137.12 158.85 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -141.34 128.69 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -132.83 162.85 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HD3' HG22 ' A' ' 44' ' ' ILE . 28.0 tptt -75.77 128.4 35.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.687 ' CE2' HD13 ' A' ' 63' ' ' ILE . 13.0 t80 -101.01 116.33 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 98' ' ' ASN . 13.8 mt -125.91 108.83 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -62.97 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.582 ' O ' HG22 ' A' ' 96' ' ' ILE . 7.6 p30 -84.26 143.29 41.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.92 13.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.304 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 43.5 ttt85 -40.55 136.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 100' ' ' ARG . 25.8 m80 -165.24 116.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.6 mt -132.14 122.69 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 t -68.99 159.16 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.09 83.68 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 88.23 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.5 t -45.83 128.92 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.3 t -88.06 132.9 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -117.56 172.39 7.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -113.44 -57.21 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.96 170.63 6.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -168.14 168.0 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -172.4 150.82 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.1 178.16 37.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -155.81 141.61 18.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.921 0.391 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 134.06 55.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 tp -133.84 133.86 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -145.65 154.83 42.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -172.09 121.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -109.14 125.87 52.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.05 18.73 10.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.56 86.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.67 124.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -138.84 160.09 40.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -114.16 81.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.78 139.01 23.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -153.94 149.0 26.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 23' ' ' THR . 9.0 p -92.61 153.25 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -104.87 31.85 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.471 HG23 HG22 ' A' ' 21' ' ' VAL . 61.0 p -97.65 -176.99 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 26' ' ' GLY . 7.4 mt -75.58 128.46 83.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.27 3.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.258 . . . . 0.0 112.354 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.484 ' H ' HG22 ' A' ' 24' ' ' ILE . . . 163.12 126.23 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 40' ' ' ILE . 61.4 t80 -87.61 108.38 19.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -95.56 8.43 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' O ' HD23 ' A' ' 91' ' ' LEU . . . -70.42 -149.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.72 HG11 ' HD2' ' A' ' 89' ' ' ARG . 57.9 t -145.89 132.67 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.87 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.9 t -81.04 150.95 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.23 -46.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -138.57 161.05 38.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.99 -49.5 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -53.96 -43.9 70.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.36 -39.49 94.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.87 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -60.13 -37.35 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.641 HG12 ' HD2' ' A' ' 42' ' ' ARG . 52.4 t -64.23 -50.91 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.51 -56.21 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.65 HD13 ' CE2' ' A' ' 27' ' ' PHE . 39.1 mt -55.21 -45.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.536 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -58.68 -50.59 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.641 ' HD2' HG12 ' A' ' 38' ' ' VAL . 40.7 mtp180 -52.41 -37.4 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.81 -35.34 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 27' ' ' PHE . 51.1 mt -74.23 -28.98 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.16 108.48 1.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.546 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -62.74 153.78 77.5 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.721 0.772 . . . . 0.0 110.892 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.3 Cg_endo -69.72 161.43 86.08 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.397 -0.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 ' CD1' ' A' ' 46' ' ' TYR . 17.2 m -134.66 127.57 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 ttm -87.47 130.7 34.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.431 ' O ' ' CG ' ' A' ' 61' ' ' MET . 19.9 mt -113.44 136.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 93' ' ' GLU . 7.1 mtmt -138.0 158.68 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.649 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -80.83 106.65 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -41.55 -45.04 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . -44.77 -40.71 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -166.58 59.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.515 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.49 -124.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.1 45.13 9.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.93 34.79 7.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.536 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -84.59 76.21 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.7 30.91 52.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.45 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -69.33 -176.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 61' ' ' MET . 11.4 ttm-85 -115.2 154.96 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.574 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 55.6 mt -124.44 144.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.7 140.07 50.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 62.6 m95 -110.59 -17.89 13.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -144.69 158.82 43.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.29 -45.28 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.29 -43.69 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.35 -35.24 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -60.46 -48.54 81.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -66.8 -43.15 84.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -32.62 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.97 -33.04 24.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.688 ' CD2' HD12 ' A' ' 90' ' ' LEU . 9.6 t80 -66.45 -36.79 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -65.35 -50.01 67.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.57 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -47.19 -27.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 m -72.84 -60.01 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -47.13 -39.39 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.15 -69.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.649 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -45.33 -46.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -34.44 -52.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 5.5 m -97.9 -52.15 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 66.4 m -34.54 -39.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.553 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 88.4 m-85 -125.9 -47.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.66 -21.11 2.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.91 158.12 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.73 26.38 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.72 ' HD2' HG11 ' A' ' 30' ' ' VAL . 19.2 mmt180 -71.83 123.25 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.688 HD12 ' CD2' ' A' ' 74' ' ' PHE . 20.1 mt -112.22 175.56 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 29' ' ' GLY . 36.6 mt -142.62 159.94 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' CD ' ' A' ' 93' ' ' GLU . 7.5 mt -140.53 116.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 51' ' ' LYS . 7.9 mp0 -126.72 151.1 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -55.6 136.37 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 63' ' ' ILE . 36.3 t80 -108.24 119.59 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mm -122.3 101.75 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -39.34 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -73.01 150.96 90.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.15 7.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.248 . . . . 0.0 112.37 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -62.85 123.87 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -87.49 55.02 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 103' ' ' SER . 6.6 tp -48.7 -42.59 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 102' ' ' ILE . 41.2 p -101.85 124.26 47.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.68 -156.65 8.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 165.26 31.48 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.0 t -112.88 113.46 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t 52.91 44.77 29.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -147.22 108.14 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -103.95 144.53 31.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.06 -172.26 48.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m 39.05 49.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -80.33 90.98 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.6 74.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -121.22 110.18 15.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.98 171.86 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.7 mt -38.28 -46.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 55.52 45.0 25.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -162.79 122.31 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -147.76 139.74 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 156.9 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.571 HD21 ' CG ' ' A' ' 17' ' ' LYS . 8.2 tt -85.83 111.72 20.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.15 88.19 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.571 ' CG ' HD21 ' A' ' 15' ' ' LEU . 18.1 mmtp -122.18 135.43 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -107.89 97.96 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.74 123.92 17.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -146.78 140.41 25.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -114.69 124.93 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.27 -45.66 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.1 t -65.87 -175.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.763 HG22 ' H ' ' A' ' 26' ' ' GLY . 17.5 mt -61.98 123.83 79.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.706 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.27 2.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.763 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -151.08 -168.4 15.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.682 ' CE2' HG21 ' A' ' 40' ' ' ILE . 84.7 t80 -174.94 114.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -108.81 17.12 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.545 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -81.33 89.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 89' ' ' ARG . 75.7 t -35.83 135.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 37' ' ' ALA . 3.6 t -81.53 159.35 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -112.08 -37.52 5.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -145.46 175.1 10.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 71' ' ' ARG . . . -62.93 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -50.03 70.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.09 -38.32 76.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.78 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.05 -33.85 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.57 -47.05 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.3 -37.94 82.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.682 HG21 ' CE2' ' A' ' 27' ' ' PHE . 55.0 mt -72.01 -49.97 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.664 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.81 -49.84 61.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -52.81 -38.85 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.72 -39.1 84.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.668 HD12 HG22 ' A' ' 92' ' ' ILE . 42.4 mt -70.89 -31.28 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.32 109.45 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' HA ' HG13 ' A' ' 48' ' ' VAL . 89.9 m-85 -62.41 153.37 76.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.701 0.763 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.545 ' HB3' ' CE3' ' A' ' 65' ' ' TRP . 53.9 Cg_endo -69.76 155.3 93.33 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.351 -0.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.664 HG21 ' HB1' ' A' ' 41' ' ' ALA . 20.8 m -130.67 124.96 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.404 ' HA ' HG23 ' A' ' 63' ' ' ILE . 3.3 ttm -84.4 149.59 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.7 mt -130.31 116.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.9 170.86 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.688 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -97.47 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -38.82 -39.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.3 -52.86 19.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.14 65.94 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.43 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -41.51 158.47 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.79 -65.56 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.57 -30.17 10.25 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -117.06 34.19 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.26 -32.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -178.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -114.33 154.06 28.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.404 HG23 ' HA ' ' A' ' 49' ' ' MET . 40.0 mt -124.92 144.62 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.84 141.25 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.545 ' CE3' ' HB3' ' A' ' 47' ' ' PRO . 74.3 m95 -108.02 -15.85 14.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.96 158.99 41.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -37.81 -54.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.93 -46.02 31.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.66 -40.21 73.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 m -53.73 -55.74 23.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.436 ' HG2' ' HB1' ' A' ' 34' ' ' ALA . 66.6 mtt180 -62.07 -49.91 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.84 -35.23 68.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.56 -30.24 33.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.4 t80 -67.98 -30.31 69.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.3 -42.26 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.63 -39.32 57.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.2 m -69.96 -26.21 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.1 p -78.0 -49.66 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -57.77 -32.12 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.53 -68.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.688 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -48.63 -43.87 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.69 -35.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 85' ' ' PHE . 15.9 t -108.55 -59.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 10.1 m -35.11 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' SER . 44.6 m-85 -128.52 -43.9 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.51 -36.66 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.93 156.62 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -100.98 15.56 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.503 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 3.0 mmp_? -58.99 129.0 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 74' ' ' PHE . 11.0 mt -119.13 170.89 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.4 mt -141.92 160.47 40.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.668 HG22 HD12 ' A' ' 44' ' ' ILE . 20.6 mt -140.71 121.32 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -130.41 157.28 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -70.68 131.85 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -108.15 120.15 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.4 mt -135.17 117.4 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.34 -64.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.429 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 2.5 t-20 -81.29 141.16 49.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 54.2 Cg_endo -69.75 164.86 32.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -131.51 128.0 38.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' ND1' ' N ' ' A' ' 102' ' ' ILE . 32.0 p80 -99.25 -51.87 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.581 HG23 ' N ' ' A' ' 103' ' ' SER . 11.7 tt -37.98 -48.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.581 ' N ' HG23 ' A' ' 102' ' ' ILE . 52.7 p -83.63 -178.45 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.25 152.98 6.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.424 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.7 p -132.79 169.77 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -64.72 -42.92 94.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -162.7 160.46 25.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -75.07 173.65 10.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.05 127.2 2.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -169.36 144.44 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -73.27 151.56 41.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.05 88.09 0.34 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -148.75 142.89 26.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.61 156.84 46.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mt -103.53 89.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -131.34 122.7 26.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -160.3 147.54 16.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -78.03 98.82 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -107.33 140.71 39.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -72.69 -53.94 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 43.13 52.32 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.25 135.35 48.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -104.66 100.03 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.73 103.37 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.071 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -143.6 147.84 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 21' ' ' VAL . 34.2 m -129.89 45.36 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.5 52.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.3 p -111.06 132.41 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mt -107.39 130.05 23.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -3.38 11.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.99 167.53 32.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 40' ' ' ILE . 74.4 t80 -166.06 147.52 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 56.9 m-20 -132.53 -35.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -37.56 94.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 90' ' ' LEU . 10.8 p -37.59 142.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.699 HG11 ' HB2' ' A' ' 37' ' ' ALA . 34.9 t -77.85 156.4 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -102.26 -36.98 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 32' ' ' LYS . 2.8 m-20 -157.18 163.89 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -51.5 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -45.15 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -65.17 -33.87 77.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.699 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -67.23 -31.42 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.462 ' HA ' HG21 ' A' ' 70' ' ' THR . 69.3 t -69.43 -46.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -62.54 -55.54 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.58 HD13 ' CE2' ' A' ' 27' ' ' PHE . 74.3 mt -49.89 -45.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB1' HG11 ' A' ' 48' ' ' VAL . . . -57.76 -55.2 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -50.46 -27.77 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.57 -29.94 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 92' ' ' ILE . 46.3 mt -79.73 -32.34 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 102.06 2.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.539 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 98.6 m-85 -56.44 152.95 22.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.75 159.82 89.03 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 48' ' ' VAL . 34.3 m -130.04 122.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.452 ' HA ' HG23 ' A' ' 63' ' ' ILE . 23.9 ttm -85.27 128.89 34.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.3 mt -114.94 139.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 91' ' ' LEU . 12.4 mtmm -142.6 171.8 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -88.87 107.5 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -44.42 -30.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.5 75.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -155.22 82.48 0.16 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.7 -112.55 0.39 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.43 -55.61 1.73 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.93 13.34 2.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -124.1 105.17 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.3 -34.27 5.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' A' ' 61' ' ' MET . 1.5 ppp? -58.88 -173.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -141.72 159.42 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.487 HD13 ' CD2' ' A' ' 95' ' ' PHE . 76.2 mt -124.37 155.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -130.21 153.67 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 45.8 m95 -121.02 -7.92 9.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -147.18 175.5 10.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -59.43 -48.95 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.96 -43.9 86.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.9 -43.28 99.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.462 HG21 ' HA ' ' A' ' 38' ' ' VAL . 44.8 m -49.52 -52.54 28.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.19 -61.73 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -46.51 -37.35 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.06 49.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CD2' HD12 ' A' ' 90' ' ' LEU . 2.7 t80 -74.69 -35.42 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -69.29 -42.26 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.47 -54.22 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.506 ' C ' HD21 ' A' ' 90' ' ' LEU . 48.6 m -55.3 -33.29 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.5 p -70.27 -52.17 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -55.88 -35.18 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' SER . 66.0 mm-40 -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -73.31 -29.43 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.62 72.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 t -96.17 -27.78 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 13.8 m -66.06 -68.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 67.7 m-85 -98.92 -40.68 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.23 -35.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.4 155.01 16.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.27 32.1 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.494 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 9.9 mmm180 -71.24 130.61 41.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.9 mt -118.62 179.24 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' LYS . 25.7 mt -146.41 161.68 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.546 HG22 HD12 ' A' ' 44' ' ' ILE . 53.5 mt -143.91 123.64 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -133.31 154.87 50.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HD3' HG22 ' A' ' 44' ' ' ILE . 16.7 tptm -68.56 128.02 35.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CD2' HD13 ' A' ' 63' ' ' ILE . 10.9 t80 -102.33 111.8 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -125.35 117.99 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -96.29 -48.44 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -101.23 156.15 35.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.89 17.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.38 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 4.1 mpt_? -97.53 -56.59 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 100' ' ' ARG . 16.2 p80 40.57 43.15 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 tt -139.66 154.39 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.2 m -169.11 -177.35 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.401 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -67.7 -63.96 3.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 104' ' ' GLY . 53.5 Cg_endo -69.77 -43.74 2.48 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.8 t -77.78 96.74 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.1 m -58.63 167.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' A' ' 40' ' ' ILE . 52.8 t80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.905 0.384 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -107.97 10.02 28.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.452 ' O ' ' CG2' ' A' ' 30' ' ' VAL . . . -66.99 -133.71 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 59.8 t -158.83 143.8 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 111.112 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.914 HG11 ' HB2' ' A' ' 37' ' ' ALA . 11.4 t -96.75 138.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -92.84 -43.05 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -143.05 161.25 38.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.47 -50.09 23.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -49.77 -47.93 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -63.76 -35.12 79.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.914 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -61.93 -32.83 73.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' A' ' 70' ' ' THR . 94.9 t -72.24 -46.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -57.63 -49.38 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.561 HG21 ' CD2' ' A' ' 27' ' ' PHE . 75.2 mt -61.55 -47.1 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -52.28 -57.18 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -45.6 -44.88 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.77 -40.06 91.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 27' ' ' PHE . 77.4 mt -72.27 -34.01 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.9 110.95 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 97.6 m-85 -61.98 152.96 75.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.77 160.69 87.63 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.376 -0.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 41' ' ' ALA . 27.6 m -133.82 123.9 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.491 ' HA ' HG23 ' A' ' 63' ' ' ILE . 36.6 ttm -81.55 140.32 34.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.95 118.57 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -123.38 169.87 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -89.69 115.74 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -48.11 -48.12 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.691 ' HB1' ' CG ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.64 HD13 ' CD2' ' A' ' 95' ' ' PHE . 30.9 mt -120.91 146.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.72 150.43 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.487 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 49.3 m95 -120.16 -16.53 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.8 m-20 -148.95 153.6 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' ASP . 7.4 p-10 -35.97 -45.04 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.4 -42.21 92.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.402 ' HB ' HG22 ' A' ' 38' ' ' VAL . 31.4 m -52.82 -38.14 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.11 -55.68 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.37 -40.01 58.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.12 -32.94 42.15 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.663 ' CD2' HD12 ' A' ' 90' ' ' LEU . 7.7 t80 -68.08 -42.9 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -56.76 -42.62 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.1 mt -79.5 -55.19 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.0 m -48.43 -44.06 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -66.72 -44.97 80.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.52 -35.0 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.47 -55.1 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -56.69 -30.35 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.19 -15.77 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 t -113.07 -31.44 6.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -68.15 -62.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.691 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 75.1 m-85 -102.65 -25.04 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.14 -41.35 1.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 81' ' ' ALA . 2.4 m-20 -88.12 166.98 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.01 17.65 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 mmt-85 -58.79 120.88 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.663 HD12 ' CD2' ' A' ' 74' ' ' PHE . 9.9 mt -110.25 177.53 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' LYS . 23.7 mt -143.49 159.1 43.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 44' ' ' ILE . 11.1 mt -141.76 117.86 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -125.18 158.34 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HD3' HG22 ' A' ' 44' ' ' ILE . 15.5 tptm -74.25 128.59 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.64 ' CD2' HD13 ' A' ' 63' ' ' ILE . 4.8 t80 -105.26 119.87 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.614 ' CE2' HD13 ' A' ' 40' ' ' ILE . 57.1 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' VAL . 80.1 m-20 -130.59 -34.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -40.29 96.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.518 HG21 ' CB ' ' A' ' 89' ' ' ARG . 13.3 p -43.41 137.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.743 HG11 ' HB2' ' A' ' 37' ' ' ALA . 43.6 t -71.7 154.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 31' ' ' VAL . 4.7 mmpt? -104.48 -35.37 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.19 -51.25 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.33 -43.51 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.8 -39.05 90.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.743 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.56 -32.61 74.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 42' ' ' ARG . 56.1 t -67.52 -49.56 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.07 -52.19 66.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.614 HD13 ' CE2' ' A' ' 27' ' ' PHE . 90.3 mt -55.58 -48.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -54.09 -54.18 42.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HD2' HG12 ' A' ' 38' ' ' VAL . 30.1 mtp180 -48.44 -36.92 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -68.61 -44.0 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.8 -38.86 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.63 110.97 3.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.432 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.553 ' HA ' HG13 ' A' ' 48' ' ' VAL . 96.5 m-85 -64.19 153.43 85.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.76 157.03 92.48 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.351 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 46' ' ' TYR . 22.4 m -131.92 126.51 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.6 ttm -85.1 146.2 27.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mt -124.45 120.76 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 176.16 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.576 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -99.41 112.18 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 2.0 t -46.76 -48.37 20.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB1' ' CG ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.776 0.322 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.409 HD13 ' CE2' ' A' ' 95' ' ' PHE . 56.6 mt -128.77 147.1 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.62 153.4 43.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.507 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -119.86 -16.95 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.1 162.97 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -43.79 -50.7 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 11.1 pt-20 -51.62 -46.25 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 29.9 mt-10 -68.04 -44.9 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.3 m -48.85 -55.89 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -60.3 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.83 -36.55 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.57 -33.15 28.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 90' ' ' LEU . 1.8 t80 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 14.3 mtp-105 -66.9 -32.99 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.22 -58.49 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.3 p -51.06 -23.78 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -71.51 -49.86 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -56.88 -39.5 74.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.79 -48.23 75.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.576 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -71.83 -31.22 66.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.7 86.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -92.01 -48.43 6.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 m -47.76 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.583 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 86.9 m-85 -90.06 -50.77 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.78 -34.71 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.434 ' CG ' ' HG3' ' A' ' 89' ' ' ARG . 4.4 t0 -99.48 159.8 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -95.76 -2.42 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.518 ' CB ' HG21 ' A' ' 30' ' ' VAL . 72.1 mtt180 -39.24 109.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.691 HD12 ' CD2' ' A' ' 74' ' ' PHE . 33.5 mt -102.72 175.81 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 mt -143.16 159.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.7 mt -140.44 124.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -132.26 150.06 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -61.28 133.1 55.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CE2' HD13 ' A' ' 63' ' ' ILE . 33.3 t80 -106.23 108.98 20.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.8 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.1 t80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.8 -1.13 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -152.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -142.47 146.57 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.944 HG11 ' HB2' ' A' ' 37' ' ' ALA . 34.9 t -90.62 146.44 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -102.39 -47.9 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.91 156.87 44.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -40.65 -46.4 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.74 -48.39 75.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.36 -43.41 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.944 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -57.37 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.479 HG12 ' HD2' ' A' ' 42' ' ' ARG . 97.8 t -62.97 -48.7 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -59.55 -46.02 90.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.8 mt -64.16 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.844 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -63.43 -54.11 41.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HD2' HG12 ' A' ' 38' ' ' VAL . 6.5 mtp-105 -49.22 -38.67 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -63.1 -45.17 93.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -65.98 -42.75 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.88 111.71 3.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.54 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 81.2 m-85 -64.24 154.33 83.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.71 158.25 91.05 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.379 -0.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.844 HG21 ' HB1' ' A' ' 41' ' ' ALA . 34.6 m -134.47 129.0 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.412 ' CG ' HG12 ' A' ' 63' ' ' ILE . 7.3 ttp -91.06 149.04 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.3 mt -126.15 120.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.78 166.51 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -88.49 110.75 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -45.12 -46.11 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.791 0.329 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.67 HD13 ' CE1' ' A' ' 95' ' ' PHE . 58.5 mt -124.02 157.61 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.492 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -134.3 153.12 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.53 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 47.0 m95 -119.96 -29.03 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -133.28 158.47 42.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -41.92 -47.62 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.75 -39.32 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.63 -40.76 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 38' ' ' VAL . 86.5 m -56.21 -48.55 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.19 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -66.16 -51.71 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.8 -40.62 72.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.22 -27.55 57.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.498 ' CD2' HD12 ' A' ' 90' ' ' LEU . 16.2 t80 -70.62 -34.88 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 14.6 mtp-105 -67.65 -43.36 80.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.86 -52.44 11.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.4 m -55.49 -32.56 62.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.6 t -73.9 -62.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.52 -30.57 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.17 -61.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.2 -35.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.65 74.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -87.2 -12.28 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -91.54 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -101.39 -44.21 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.95 -31.8 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -91.33 143.88 26.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -94.35 4.77 53.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -55.42 126.99 27.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 74' ' ' PHE . 10.1 mt -115.08 172.21 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt -136.82 153.92 50.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.5 119.14 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -127.49 146.57 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -57.46 130.25 45.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.67 ' CE1' HD13 ' A' ' 63' ' ' ILE . 50.6 t80 -101.89 123.11 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.4 mm . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 66.7 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -106.38 -36.73 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.585 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.69 100.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 90' ' ' LEU . 14.1 p -48.13 136.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.07 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.655 HG11 ' HB2' ' A' ' 37' ' ' ALA . 4.1 t -68.65 161.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -108.41 -42.07 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.16 163.97 38.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.51 -51.37 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -49.79 -51.24 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 7.2 tp10 -60.63 -38.8 85.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.655 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -58.14 -37.96 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 67' ' ' ASP . 94.9 t -67.91 -42.01 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -63.87 -57.43 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.527 HG21 ' CE2' ' A' ' 27' ' ' PHE . 59.9 mt -51.78 -49.35 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.694 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -56.66 -42.25 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -59.76 -33.1 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.68 -42.67 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 94' ' ' LYS . 69.5 mt -63.53 -35.45 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.05 100.67 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.668 ' CD1' HG22 ' A' ' 48' ' ' VAL . 77.3 m-85 -54.36 154.69 8.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.914 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.2 Cg_endo -69.72 163.88 80.57 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 -1.779 . . . . 0.0 112.337 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.694 HG21 ' HB1' ' A' ' 41' ' ' ALA . 15.6 m -135.86 129.5 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 ttm -90.08 138.08 31.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.5 mt -120.61 136.86 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.186 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -136.32 173.77 11.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -93.66 110.35 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.426 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -45.26 -46.82 12.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.904 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.3 ttt-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 95' ' ' PHE . 67.3 mt -125.1 150.49 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.45 155.65 38.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.7 m95 -122.25 -13.66 8.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.66 179.0 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' HB2' HG11 ' A' ' 38' ' ' VAL . 5.6 p-10 -59.05 -45.49 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.66 -46.91 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.89 -37.66 86.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 m -59.45 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 5.1 mtm105 -62.06 -46.19 90.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.83 -55.07 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.26 -29.27 73.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.506 ' CD2' HD12 ' A' ' 90' ' ' LEU . 54.1 t80 -68.41 -39.92 81.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -68.4 -41.05 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' GLU . 29.9 mt -73.09 -62.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.8 t -48.59 -34.38 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -65.58 -55.69 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -52.31 -39.32 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 76' ' ' LEU . 1.1 mp0 -58.76 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -49.21 -37.08 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.1 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' SER . 16.2 t -102.92 -55.77 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' SER . 36.0 m -36.11 -56.82 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -108.92 -48.61 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.14 -29.79 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 81' ' ' ALA . 3.4 m-20 -102.31 167.85 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.802 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -108.76 16.91 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.506 ' HD2' HG21 ' A' ' 30' ' ' VAL . 52.0 mmt-85 -58.59 127.51 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.5 mt -118.72 174.79 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 20.5 mt -140.32 165.11 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.1 mt -147.37 127.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -137.64 157.31 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 15.1 tptm -68.76 129.92 41.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 63' ' ' ILE . 3.8 t80 -103.12 122.64 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 24.3 t80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -88.99 51.69 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.597 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -122.45 90.82 0.45 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.611 HG11 ' HD2' ' A' ' 89' ' ' ARG . 92.7 t -35.26 135.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.806 HG11 ' HB2' ' A' ' 37' ' ' ALA . 5.2 t -86.57 145.68 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -96.66 -42.35 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -145.61 157.32 43.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.28 -50.41 21.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -46.06 -52.16 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.6 tp10 -61.31 -36.45 80.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.806 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -61.64 -38.5 87.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.2 -52.53 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -55.15 -48.16 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.512 HD13 ' CE2' ' A' ' 27' ' ' PHE . 66.8 mt -60.51 -49.58 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.53 -55.02 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -47.43 -41.03 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -64.25 -43.77 93.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 27' ' ' PHE . 63.3 mt -64.77 -42.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.66 99.6 2.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 87.1 m-85 -52.69 153.72 5.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.696 0.76 . . . . 0.0 110.926 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.2 Cg_endo -69.82 153.59 93.17 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.37 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 46' ' ' TYR . 26.1 m -128.72 125.57 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.2 ttm -84.99 150.7 24.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 91' ' ' LEU . 26.2 mt -132.72 115.36 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -114.8 166.05 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.65 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -87.74 107.67 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -42.33 -37.02 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.598 ' O ' ' CD1' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.704 HD13 ' CE2' ' A' ' 95' ' ' PHE . 58.7 mt -121.05 144.81 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.84 146.96 43.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.526 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 60.0 m95 -113.73 -18.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -147.32 164.83 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -45.21 -49.88 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -51.5 -43.56 62.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.65 -36.27 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -58.46 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -70.8 -51.55 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -34.33 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.45 -30.29 37.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.545 ' CD2' HD12 ' A' ' 90' ' ' LEU . 10.9 t80 -71.94 -32.66 67.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.58 -47.63 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.61 -35.81 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.466 ' O ' HD21 ' A' ' 90' ' ' LEU . 32.5 m -69.1 -28.36 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 p -75.38 -53.04 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -52.48 -33.35 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.86 -59.47 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -61.03 -35.41 76.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.88 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.9 t -89.66 -55.97 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 42.8 t -35.41 -68.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 78.5 m-85 -95.06 -49.35 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.6 -34.48 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -100.9 155.86 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -99.27 16.72 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HD2' HG11 ' A' ' 30' ' ' VAL . 12.6 mmm180 -58.87 123.45 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 74' ' ' PHE . 12.3 mt -115.65 175.64 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' ILE . 49.9 mt -143.89 166.57 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.1 mt -145.62 117.31 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 15.9 mp0 -127.71 153.38 46.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -64.49 136.31 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.704 ' CE2' HD13 ' A' ' 63' ' ' ILE . 31.8 t80 -111.29 120.37 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.2 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.696 ' CE2' HG21 ' A' ' 40' ' ' ILE . 57.1 t80 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 32.0 p-10 -81.9 -34.87 29.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.95 105.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 90' ' ' LEU . 6.7 p -63.3 137.71 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.3 t -74.31 160.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' HG12 ' A' ' 31' ' ' VAL . 8.7 mmtp -116.38 -36.07 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ALA . 24.3 p-10 -153.02 149.41 28.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -37.97 -48.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.62 -54.44 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.33 -39.0 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -57.99 -38.94 77.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.055 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.54 HG12 ' HD2' ' A' ' 42' ' ' ARG . 50.3 t -67.14 -51.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtt85 -53.75 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.696 HG21 ' CE2' ' A' ' 27' ' ' PHE . 83.9 mt -65.68 -52.74 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -48.32 -48.0 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.54 ' HD2' HG12 ' A' ' 38' ' ' VAL . 37.0 mtp180 -56.44 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.82 -46.51 71.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.34 -35.13 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.2 106.7 2.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 97.4 m-85 -62.17 153.02 76.61 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.682 0.753 . . . . 0.0 110.927 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 163.11 82.65 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.354 -0.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.561 HG21 ' HB1' ' A' ' 41' ' ' ALA . 33.7 m -136.72 123.03 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.0 ttm -84.09 135.4 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.577 HG23 ' O ' ' A' ' 91' ' ' LEU . 59.2 mt -114.96 135.52 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 1.3 mtmp? -134.52 160.68 37.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.02 114.49 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -44.13 -45.59 8.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 25.7 ttm-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.765 0.316 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.7 HD13 ' CE1' ' A' ' 95' ' ' PHE . 52.4 mt -126.7 140.56 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.96 154.49 31.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.518 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.3 m95 -120.9 -24.51 5.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -141.07 162.94 34.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.79 -54.13 4.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.22 -44.17 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.88 -45.08 71.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.8 m -48.17 -53.62 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.77 -61.19 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.21 -33.24 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.63 24.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CD2' HD12 ' A' ' 90' ' ' LEU . 12.9 t80 -70.0 -32.57 70.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.382 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -67.78 -46.56 71.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' SER . 24.2 mt -74.32 -62.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' LEU . 12.1 t -37.45 -48.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.404 ' HB2' HD11 ' A' ' 90' ' ' LEU . 22.6 t -61.69 -59.74 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -46.27 -35.88 5.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.53 -51.43 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 87' ' ' ASP . . . -51.86 -34.08 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.23 -26.87 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -91.77 -29.45 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.0 m -75.67 -74.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -95.35 -47.44 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.03 -20.92 3.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 63.6 m-20 -91.84 117.4 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.35 -9.07 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HB3' HG21 ' A' ' 30' ' ' VAL . 13.6 mmm-85 -47.68 145.54 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.566 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.9 mt -128.83 171.98 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 50' ' ' ILE . 26.7 mt -136.86 174.41 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.7 mt -155.26 123.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.57 146.33 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -53.11 136.49 35.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.7 ' CE1' HD13 ' A' ' 63' ' ' ILE . 40.0 t80 -106.7 117.86 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mm . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 58.4 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' GLY . 2.2 m-20 -114.21 -38.87 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.592 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -36.15 97.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 90' ' ' LEU . 13.5 p -46.26 142.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 37' ' ' ALA . 60.9 t -74.8 151.54 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -99.68 -35.59 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -158.18 153.54 25.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -39.34 -53.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.59 -41.39 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.51 -35.18 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -64.64 -33.73 76.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.526 HG22 ' HB ' ' A' ' 70' ' ' THR . 91.2 t -70.74 -41.89 77.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -62.34 -57.15 12.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.579 HG21 ' CE2' ' A' ' 27' ' ' PHE . 28.4 mt -55.86 -40.02 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -59.33 -55.18 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -48.57 -40.23 26.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -62.57 -47.98 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.8 mt -61.46 -41.12 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.48 95.07 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.542 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 78.7 m-85 -48.15 154.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.952 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.4 Cg_endo -69.73 163.31 82.07 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.362 -0.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' HA ' ' A' ' 46' ' ' TYR . 28.1 m -137.94 123.62 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.581 ' HA ' HG23 ' A' ' 63' ' ' ILE . 24.5 ttm -81.08 140.69 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.11 130.22 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.438 ' NZ ' ' CD ' ' A' ' 93' ' ' GLU . 6.3 mtmt -129.52 174.9 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -100.16 108.63 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -45.07 -46.48 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.2 ttt180 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.788 0.328 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.581 HG23 ' HA ' ' A' ' 49' ' ' MET . 51.0 mt -119.55 155.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.455 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -128.15 150.54 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 38.9 m95 -119.03 -10.54 9.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -152.85 163.03 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -42.99 -55.03 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.14 -45.65 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.45 -43.91 76.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 38' ' ' VAL . 33.5 m -49.95 -52.83 30.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.1 -62.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -43.77 -46.77 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.93 -28.63 64.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 90' ' ' LEU . 38.0 t80 -69.82 -39.05 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -64.67 -47.39 78.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' SER . 10.2 mt -68.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.425 ' O ' HD21 ' A' ' 90' ' ' LEU . 57.4 m -44.74 -22.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 42.6 t -80.59 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -49.19 -31.8 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -67.03 -51.91 48.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.72 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -59.88 -25.11 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.42 -20.04 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -99.65 -6.7 26.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -102.97 -58.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -104.07 -47.3 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.1 -32.18 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 142.68 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.754 0.312 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -101.1 21.75 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.605 ' HB3' HG21 ' A' ' 30' ' ' VAL . 49.3 mtt180 -69.48 125.8 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.1 mt -111.45 166.03 11.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -132.96 160.31 37.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 31' ' ' VAL . 14.7 mt -141.23 124.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.438 ' CD ' ' NZ ' ' A' ' 51' ' ' LYS . 60.1 mt-10 -133.79 158.07 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -65.73 130.0 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 63' ' ' ILE . 61.6 t80 -102.24 115.44 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.61 ' CD2' HG21 ' A' ' 40' ' ' ILE . 50.3 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p-10 -125.44 -33.53 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.56 92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 89' ' ' ARG . 8.1 p -39.2 135.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.816 HG11 ' HB2' ' A' ' 37' ' ' ALA . 24.4 t -68.26 159.27 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.498 ' N ' HG12 ' A' ' 31' ' ' VAL . 9.0 mmpt? -111.41 -41.04 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 3.1 m-20 -154.74 156.25 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.607 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -41.68 -46.82 3.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.48 -43.28 79.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.23 -36.86 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.816 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.41 -33.1 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.577 ' HA ' HG21 ' A' ' 70' ' ' THR . 53.3 t -69.03 -49.24 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -57.88 -57.59 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 27' ' ' PHE . 29.8 mt -51.01 -49.8 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.651 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.82 -62.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HD2' HG12 ' A' ' 38' ' ' VAL . 13.0 mtp85 -40.77 -40.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.26 -39.71 92.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.469 HD12 HG22 ' A' ' 92' ' ' ILE . 50.2 mt -69.56 -31.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 105.98 1.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.562 ' HA ' HG13 ' A' ' 48' ' ' VAL . 91.8 m-85 -59.92 153.73 52.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.76 156.56 92.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.319 -0.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.651 HG21 ' HB1' ' A' ' 41' ' ' ALA . 23.0 m -132.22 124.91 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.6 ttm -81.43 151.06 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.96 118.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.18 173.94 6.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -96.96 108.54 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -43.01 -47.87 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.907 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.574 HD13 ' CE1' ' A' ' 95' ' ' PHE . 70.1 mt -122.01 146.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.7 148.46 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -115.44 -14.68 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.3 161.6 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 40.9 t0 -40.98 -58.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 15.9 pt-20 -44.79 -44.39 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 25.6 mt-10 -70.57 -43.53 69.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.577 HG21 ' HA ' ' A' ' 38' ' ' VAL . 37.2 m -51.82 -48.39 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -66.74 -51.5 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.52 -34.81 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.06 -38.41 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 41.3 t80 -63.27 -30.5 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -72.13 -52.28 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.46 -57.49 6.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.7 m -50.02 -24.66 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 t -75.13 -56.54 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.43 -27.35 9.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -68.59 -66.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.661 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -52.68 -25.08 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -83.99 -43.24 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -46.29 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -93.81 -53.16 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 152.01 -25.17 0.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 81' ' ' ALA . 16.4 m-20 -107.13 169.16 8.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -109.95 9.6 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.526 ' HB3' HG21 ' A' ' 30' ' ' VAL . 48.5 mmt-85 -55.36 118.6 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.7 mt -109.28 176.64 5.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.411 ' C ' HG13 ' A' ' 92' ' ' ILE . 16.3 mt -139.27 174.44 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 44' ' ' ILE . 50.7 mt -154.7 120.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.68 150.05 52.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -56.2 132.16 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 63' ' ' ILE . 75.7 t80 -106.07 114.87 29.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.6 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.907 ' CE2' HG21 ' A' ' 40' ' ' ILE . 49.3 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.14 -29.37 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -38.29 103.63 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG11 ' HE ' ' A' ' 89' ' ' ARG . 61.3 t -52.35 138.15 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.724 HG11 ' HB2' ' A' ' 37' ' ' ALA . 11.5 t -78.12 149.45 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' C ' ' A' ' 31' ' ' VAL . 7.4 mmpt? -101.29 -40.13 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -152.62 152.9 32.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.549 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.1 -49.38 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -52.19 -48.67 64.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.44 -39.25 86.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.724 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -56.55 -40.81 75.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.63 -55.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -52.47 55.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.907 HG21 ' CE2' ' A' ' 27' ' ' PHE . 61.0 mt -56.33 -44.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -61.68 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -41.61 -35.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.72 -53.73 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 27' ' ' PHE . 69.0 mt -55.07 -47.57 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.91 105.55 2.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -60.16 153.75 55.27 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 159.38 89.87 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.361 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 46' ' ' TYR . 22.2 m -131.84 125.77 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.5 ttm -89.01 138.74 31.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 91' ' ' LEU . 19.3 mt -117.48 134.18 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' LEU . 5.7 mtmt -133.41 152.89 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -80.09 114.05 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.091 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -46.51 -49.77 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.7 ttm-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.616 HD13 ' CE2' ' A' ' 95' ' ' PHE . 30.3 mt -128.5 146.97 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.85 155.47 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.509 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.9 m95 -122.01 -25.8 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.53 165.3 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.67 -49.18 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.63 -45.32 70.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.55 -41.2 89.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.1 m -55.73 -54.87 39.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -59.37 -55.2 37.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -37.01 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.98 -27.04 59.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.632 ' CD1' HD12 ' A' ' 90' ' ' LEU . 21.3 t80 -73.65 -33.66 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -70.62 -42.92 70.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.88 -62.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.5 m -50.73 -23.47 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -70.56 -56.55 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -51.81 -40.41 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.48 -70.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.729 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.73 -35.25 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.22 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 48.3 t -103.25 -62.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 88.0 p -34.85 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.527 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 97.9 m-85 -106.89 -51.0 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.95 -30.75 1.9 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -100.91 145.1 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -90.67 16.45 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.44 ' HE ' HG11 ' A' ' 30' ' ' VAL . 24.9 mmm-85 -63.42 128.04 34.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.632 HD12 ' CD1' ' A' ' 74' ' ' PHE . 16.6 mt -117.53 174.89 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 50' ' ' ILE . 32.0 mt -144.73 158.58 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.457 HD11 HG21 ' A' ' 31' ' ' VAL . 26.3 mt -139.68 127.07 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -134.67 156.81 48.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HD3' HG22 ' A' ' 44' ' ' ILE . 23.4 tptp -68.2 132.01 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.616 ' CE2' HD13 ' A' ' 63' ' ' ILE . 6.8 t80 -103.71 115.15 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.7 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 56.9 t80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -128.93 -31.42 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.569 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.57 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 89' ' ' ARG . 9.0 p -44.47 140.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.649 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.4 t -83.28 161.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.457 ' N ' HG12 ' A' ' 31' ' ' VAL . 31.0 mmtt -110.62 -44.75 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.26 161.65 38.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.1 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.57 -43.25 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.4 -36.17 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.649 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -66.22 -30.09 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.38 -41.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -65.51 -55.29 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 27' ' ' PHE . 60.0 mt -53.55 -46.35 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.13 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.1 mtp-105 -44.96 -44.0 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.74 -43.49 96.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mt -62.07 -41.83 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.19 94.92 2.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.539 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 82.3 m-85 -48.96 154.08 1.36 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 110.936 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.79 162.54 84.0 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.341 -0.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 46' ' ' TYR . 35.3 m -136.28 123.11 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.51 ' HA ' HG23 ' A' ' 63' ' ' ILE . 30.0 ttm -84.03 128.52 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.77 130.88 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -131.72 179.32 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.44 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.2 t -54.21 -44.35 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.522 HD13 ' CE2' ' A' ' 95' ' ' PHE . 41.4 mt -111.95 148.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.26 146.14 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.445 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 61.8 m95 -114.93 -28.19 7.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -134.22 166.35 22.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -48.3 -56.48 7.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.09 -34.47 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -73.12 -45.85 54.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.41 HG21 ' C ' ' A' ' 37' ' ' ALA . 54.2 m -49.75 -46.75 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -66.78 -58.39 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -45.51 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.51 -30.09 54.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.4 t80 -69.03 -38.05 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -62.94 -42.82 99.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.96 -63.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.419 ' C ' HD21 ' A' ' 90' ' ' LEU . 9.3 m -40.57 -44.31 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.7 t -61.17 -48.67 80.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -60.4 -35.51 75.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.81 -52.19 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.528 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -50.92 -41.02 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -54.39 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -52.4 -40.08 61.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -55.29 -73.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -99.4 -49.58 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 152.8 -42.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -84.71 160.31 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -108.75 21.17 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.5 ' HB3' HG21 ' A' ' 30' ' ' VAL . 89.9 mtt-85 -66.26 121.78 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 74' ' ' PHE . 14.7 mt -106.41 168.32 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.0 mt -135.46 166.42 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.4 mt -149.22 121.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -129.19 154.2 46.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -67.03 130.45 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.522 ' CE2' HD13 ' A' ' 63' ' ' ILE . 3.5 t80 -100.49 120.14 39.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 16.7 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLY . 64.5 m-20 -41.86 -41.55 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.6 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.16 109.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.2 p -63.79 130.88 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.775 HG11 ' HB2' ' A' ' 37' ' ' ALA . 19.4 t -65.89 157.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -103.74 -42.08 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.15 159.48 44.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.17 -51.19 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -51.57 -41.88 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' HD12 ' A' ' 40' ' ' ILE . 31.1 tt0 -70.57 -33.68 71.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.775 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -65.04 -34.55 78.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 70' ' ' THR . 77.4 t -67.95 -49.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -60.69 -47.92 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.543 HG21 ' CD2' ' A' ' 27' ' ' PHE . 96.8 mt -63.83 -40.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.569 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -61.35 -47.24 86.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -55.33 -36.94 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.29 -39.72 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 27' ' ' PHE . 39.0 mt -68.04 -33.78 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.73 111.89 3.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CD1' HG22 ' A' ' 48' ' ' VAL . 87.9 m-85 -68.43 153.69 95.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.907 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.79 154.62 93.42 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 -1.822 . . . . 0.0 112.353 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.569 HG21 ' HB1' ' A' ' 41' ' ' ALA . 29.4 m -122.98 123.05 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.509 ' HA ' HG23 ' A' ' 63' ' ' ILE . 47.8 ttm -79.89 130.12 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -117.65 114.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 169.44 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.656 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -87.88 114.5 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.421 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 2.6 t -45.85 -39.58 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 15.3 ttm-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.811 0.339 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.509 HG23 ' HA ' ' A' ' 49' ' ' MET . 50.2 mt -122.24 143.85 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.96 149.23 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.534 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.5 m95 -115.31 -29.41 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.26 167.34 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.49 -56.4 7.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.99 -37.81 21.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.35 -42.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.474 HG21 ' HA ' ' A' ' 38' ' ' VAL . 58.8 m -50.49 -53.02 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.423 ' HE ' HG21 ' A' ' 38' ' ' VAL . 98.2 mtt180 -60.19 -58.36 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -50.56 -36.95 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.79 -36.37 32.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.611 ' CD2' HD12 ' A' ' 90' ' ' LEU . 26.7 t80 -66.6 -39.94 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -62.79 -49.46 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -71.53 -62.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -46.67 -21.95 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -76.57 -61.27 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.49 -30.55 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.41 -60.79 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.656 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -57.68 -27.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' SER . 13.6 t -102.83 -56.32 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 45.9 t -35.11 -48.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 90.6 m-85 -115.66 -50.62 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.07 -19.79 2.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.697 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -113.86 136.93 52.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -84.23 -11.53 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.421 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 35.7 mtt85 -43.5 116.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.611 HD12 ' CD2' ' A' ' 74' ' ' PHE . 11.8 mt -100.23 173.95 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 50.2 mt -140.72 161.76 37.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.491 HG22 HD12 ' A' ' 44' ' ' ILE . 38.3 mt -143.63 126.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -138.54 142.41 39.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -56.48 129.72 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.453 ' CE2' HD13 ' A' ' 63' ' ' ILE . 18.9 t80 -105.97 121.46 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CE2' HD13 ' A' ' 40' ' ' ILE . 35.4 t80 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.97 -31.47 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -41.22 101.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.6 p -52.95 133.09 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 111.149 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 32' ' ' LYS . 11.5 t -66.97 164.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.2 mmpt? -112.37 -34.81 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 2.3 m-20 -162.44 164.34 27.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB1' ' HG2' ' A' ' 71' ' ' ARG . . . -44.92 -51.27 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.04 -52.86 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -60.06 -40.21 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -56.73 -35.72 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.434 ' HA ' HG21 ' A' ' 70' ' ' THR . 76.1 t -72.48 -46.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 -58.76 -52.91 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.599 HD13 ' CE2' ' A' ' 27' ' ' PHE . 75.2 mt -60.54 -47.24 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.641 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -54.21 -53.86 47.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -49.97 -40.05 42.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -64.0 -42.73 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.5 -39.67 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.17 102.74 2.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 88.4 m-85 -56.14 153.93 16.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.944 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.82 158.76 90.84 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.334 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.641 HG21 ' HB1' ' A' ' 41' ' ' ALA . 26.8 m -132.62 124.17 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.672 ' HA ' HG23 ' A' ' 63' ' ' ILE . 25.7 ttm -83.29 135.01 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.1 mt -117.19 119.35 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 175.7 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -95.42 118.22 31.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -53.23 -32.87 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.856 0.36 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.672 HG23 ' HA ' ' A' ' 49' ' ' MET . 19.7 mt -114.35 148.18 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.95 152.32 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.503 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 54.6 m95 -120.38 -15.28 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -151.75 168.56 24.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.47 -45.36 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.68 -47.54 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.36 -33.99 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.434 HG21 ' HA ' ' A' ' 38' ' ' VAL . 53.9 m -56.63 -56.35 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.574 ' HG2' ' HB1' ' A' ' 34' ' ' ALA . 57.1 mtt-85 -61.86 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -46.23 56.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.92 -28.21 65.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.9 t80 -72.28 -39.04 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -64.09 -45.31 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.42 -56.98 4.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.444 ' O ' HD21 ' A' ' 90' ' ' LEU . 47.2 m -49.65 -20.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -76.66 -53.25 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.11 -28.33 66.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.07 -62.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.606 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.6 -41.92 22.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -62.29 -73.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -47.37 -35.79 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -67.09 -74.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -98.69 -44.71 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 140.08 -43.45 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.59 116.58 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.03 2.97 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -52.81 126.67 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 74' ' ' PHE . 26.9 mt -108.74 177.07 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.5 mt -143.97 160.3 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -141.7 126.75 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -136.65 152.78 50.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.85 133.37 54.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 63' ' ' ILE . 55.9 t80 -108.79 111.88 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 39.0 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 21.8 m-20 -61.38 -41.66 97.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.599 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.18 109.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.5 p -62.61 136.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 37' ' ' ALA . 8.6 t -71.39 160.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.5 mmtp -112.26 -44.45 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -141.38 161.83 36.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.412 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -52.65 -47.41 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -54.41 -42.28 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' ' CD1' ' A' ' 40' ' ' ILE . 37.5 tt0 -68.53 -36.42 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -64.25 -36.63 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 70' ' ' THR . 99.0 t -67.44 -51.6 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -57.49 -49.22 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 27' ' ' PHE . 69.9 mt -59.17 -52.44 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -50.83 -47.68 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -54.62 -36.56 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -67.42 -40.72 85.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.535 HD11 ' HB3' ' A' ' 27' ' ' PHE . 51.5 mt -66.9 -37.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.96 102.23 2.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.549 ' HA ' HG13 ' A' ' 48' ' ' VAL . 80.4 m-85 -58.67 153.9 38.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.76 155.26 93.33 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.359 -0.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.784 HG21 ' HB1' ' A' ' 41' ' ' ALA . 17.7 m -129.82 125.61 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.3 ttm -84.12 148.66 26.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 91' ' ' LEU . 56.4 mt -128.91 113.43 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 165.68 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -86.61 112.54 21.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -42.17 -44.94 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.408 HH11 ' CA ' ' A' ' 73' ' ' GLY . 20.0 ttt180 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.792 0.329 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 95' ' ' PHE . 21.9 mt -122.83 142.03 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.74 151.66 35.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.59 -11.51 10.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -152.41 158.39 42.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -39.27 -55.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 12.4 pt-20 -45.74 -48.27 15.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 23.0 mt-10 -66.54 -41.94 87.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.586 HG21 ' HA ' ' A' ' 38' ' ' VAL . 62.3 m -54.63 -41.41 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -70.83 -55.67 8.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.16 -40.63 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.408 ' CA ' HH11 ' A' ' 62' ' ' ARG . . . -73.89 -35.33 54.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CD1' HD12 ' A' ' 90' ' ' LEU . 50.4 t80 -64.26 -41.26 97.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -64.89 -47.52 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.86 -56.73 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -52.5 -46.77 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.1 p -56.55 -43.17 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -63.19 -36.83 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 84' ' ' SER . 51.2 mm-40 -67.0 -61.77 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.33 -31.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.415 ' O ' ' CA ' ' A' ' 86' ' ' GLY . . . -58.58 -69.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 m -79.79 -49.76 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 83' ' ' SER . 8.6 t -36.12 -64.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 84.4 m-85 -100.94 -52.37 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 82' ' ' ALA . . . 150.26 -17.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.448 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 4.4 m-20 -121.33 135.28 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.23 -9.71 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.3 mtt85 -45.46 134.98 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.4 mt -120.23 170.22 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 17.1 mt -135.62 166.55 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 31' ' ' VAL . 41.7 mt -146.7 116.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -125.77 155.03 41.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -69.06 134.36 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 63' ' ' ILE . 9.0 t80 -108.12 113.29 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.0 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.684 ' CE2' HG21 ' A' ' 40' ' ' ILE . 70.8 t80 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' GLY . 18.4 p-10 -92.99 -33.91 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.586 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.33 105.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.4 135.75 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.876 HG11 ' HB2' ' A' ' 37' ' ' ALA . 17.0 t -74.34 147.84 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -97.24 -39.1 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.45 172.75 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.77 81.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.24 -54.42 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.71 -31.33 68.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.876 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -67.62 -32.1 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.62 HG12 ' HD2' ' A' ' 42' ' ' ARG . 69.9 t -72.7 -48.19 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.48 -54.9 41.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.684 HG21 ' CE2' ' A' ' 27' ' ' PHE . 61.5 mt -55.9 -53.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.613 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.01 -45.68 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.62 ' HD2' HG12 ' A' ' 38' ' ' VAL . 22.8 mtt180 -56.4 -32.24 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -73.47 -40.87 63.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 27' ' ' PHE . 15.7 mt -61.58 -39.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.23 92.87 1.97 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.531 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 96.4 m-85 -43.82 153.17 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.74 158.58 90.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.613 HG21 ' HB1' ' A' ' 41' ' ' ALA . 27.0 m -134.01 123.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.434 ' HA ' HG23 ' A' ' 63' ' ' ILE . 40.4 ttm -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.1 mt -115.34 113.65 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.17 168.69 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.584 ' HA ' HD23 ' A' ' 90' ' ' LEU . . . -90.49 112.03 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.413 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.4 t -47.87 -40.76 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.492 HH11 HD12 ' A' ' 76' ' ' LEU . 14.0 ttt180 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.631 HD13 ' CE2' ' A' ' 95' ' ' PHE . 36.0 mt -118.51 147.13 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.86 147.76 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.492 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.6 m95 -119.63 -14.12 9.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -148.6 169.86 19.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -52.35 -50.91 61.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.41 -42.07 66.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.86 -37.44 73.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.504 HG21 ' HA ' ' A' ' 38' ' ' VAL . 25.0 m -54.99 -56.74 16.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -59.11 -58.54 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.0 -47.82 21.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.92 -37.02 74.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CD2' HD12 ' A' ' 90' ' ' LEU . 23.8 t80 -63.65 -44.38 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -61.72 -42.6 99.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.492 HD12 HH11 ' A' ' 62' ' ' ARG . 30.0 mt -73.09 -60.93 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 m -46.99 -32.09 3.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -66.51 -51.74 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -63.59 -63.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -49.05 -42.05 37.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.88 -32.55 14.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.8 t -96.28 -45.28 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -46.44 -64.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -105.89 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.15 -31.12 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -96.49 157.2 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 27.44 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 12.9 mmt180 -67.79 147.85 52.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 52' ' ' ALA . 43.4 mt -136.38 175.33 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 77.2 mt -144.67 162.25 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 44' ' ' ILE . 21.4 mt -140.64 119.87 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -135.3 141.12 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -50.01 128.04 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.631 ' CE2' HD13 ' A' ' 63' ' ' ILE . 32.6 t80 -94.14 106.69 18.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 51.5 t80 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.4 m-20 -106.18 -43.9 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.09 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 89' ' ' ARG . 2.7 p -48.45 142.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' HB2' ' A' ' 37' ' ' ALA . 17.0 t -71.1 156.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' N ' HG12 ' A' ' 31' ' ' VAL . 8.9 mmpt? -104.18 -45.33 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -152.39 156.42 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.44 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -38.81 -48.45 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.18 -50.81 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.92 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -68.56 -46.78 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -58.48 -56.68 19.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.456 HG21 ' CD2' ' A' ' 27' ' ' PHE . 29.3 mt -50.82 -52.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -48.09 -58.19 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -45.56 -46.9 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -56.29 -43.99 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.01 106.83 3.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.545 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 95.4 m-85 -58.11 152.77 38.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.948 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.77 158.68 90.77 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.387 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 41' ' ' ALA . 29.5 m -132.23 126.66 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.0 ttm -88.05 140.14 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 91' ' ' LEU . 38.9 mt -120.92 134.13 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LEU . 9.6 mtmt -133.36 155.33 49.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -78.71 110.74 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 89' ' ' ARG . 1.3 t -46.0 -37.33 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.951 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.799 0.333 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.771 HD13 ' CD2' ' A' ' 95' ' ' PHE . 65.1 mt -120.29 146.73 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.83 146.81 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.494 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 56.6 m95 -114.73 -22.39 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -140.27 165.8 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.69 -54.99 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.46 ' N ' HH21 ' A' ' 71' ' ' ARG . 7.4 pt-20 -50.36 -43.55 54.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.84 -42.6 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.9 m -57.02 -48.96 77.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.46 HH21 ' N ' ' A' ' 68' ' ' GLU . 54.6 mtm180 -63.97 -48.74 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.94 -44.95 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.74 -31.78 57.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CD2' HD12 ' A' ' 90' ' ' LEU . 25.0 t80 -64.06 -38.47 91.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 15.3 mtp-105 -63.1 -49.84 72.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.05 -55.02 10.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.592 ' O ' HD21 ' A' ' 90' ' ' LEU . 8.2 t -51.81 -28.14 14.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 t -81.01 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.44 -28.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.36 -66.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.682 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -46.72 -38.81 10.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.05 -62.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' SER . 25.6 p -73.96 -49.47 24.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' SER . 11.0 m -37.11 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -95.15 -52.52 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.38 -31.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.37 161.47 13.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.29 18.04 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HB3' HG21 ' A' ' 30' ' ' VAL . 85.3 mtt-85 -62.88 118.92 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.592 HD21 ' O ' ' A' ' 77' ' ' SER . 16.2 mt -104.89 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' LYS . 30.2 mt -141.28 162.85 34.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.1 mt -141.08 133.83 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -140.93 162.58 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -77.03 130.8 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.771 ' CD2' HD13 ' A' ' 63' ' ' ILE . 11.1 t80 -105.26 119.93 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.965 ' CE2' HG21 ' A' ' 40' ' ' ILE . 85.5 t80 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 68.3 m-20 -115.6 -33.45 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.556 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.22 102.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.74 129.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.815 HG11 ' HB2' ' A' ' 37' ' ' ALA . 3.8 t -70.63 157.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -128.98 -35.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.5 144.94 36.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.587 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -43.76 -41.65 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.22 -39.42 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.483 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.5 tp10 -72.42 -32.97 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.815 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -65.36 -37.67 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.438 ' HA ' HG21 ' A' ' 70' ' ' THR . 51.9 t -67.36 -51.04 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -53.43 -54.13 41.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.965 HG21 ' CE2' ' A' ' 27' ' ' PHE . 28.0 mt -57.16 -46.65 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.474 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -57.37 -60.76 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.414 ' HD2' HG12 ' A' ' 38' ' ' VAL . 55.9 mtp180 -42.41 -36.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.91 -51.23 42.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -58.9 -39.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.39 113.44 3.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HA ' HG13 ' A' ' 48' ' ' VAL . 88.6 m-85 -66.15 153.58 91.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.751 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.77 155.14 93.42 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.346 -0.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 46' ' ' TYR . 15.6 m -130.1 126.55 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.43 ' HA ' HG23 ' A' ' 63' ' ' ILE . 3.3 ttm -84.02 146.01 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt -127.37 120.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.47 175.99 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.77 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -102.49 98.25 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.089 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 3.2 t -37.01 -29.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.426 ' NH2' ' O ' ' A' ' 63' ' ' ILE . 6.3 ttp85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.747 0.308 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' CE2' ' A' ' 95' ' ' PHE . 38.7 mt -126.75 142.01 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.56 156.7 26.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.451 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.0 m95 -122.46 -20.06 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.72 162.04 37.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -43.33 -50.66 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -52.26 -46.51 65.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' NH2' ' A' ' 62' ' ' ARG . 30.9 mt-10 -66.17 -41.37 90.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 38' ' ' VAL . 95.4 m -51.57 -54.02 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -62.08 -58.59 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.18 -40.32 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.19 -38.02 27.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.636 ' CD1' HD12 ' A' ' 90' ' ' LEU . 56.0 t80 -60.29 -31.11 69.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 22.4 mtp85 -73.42 -44.81 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.37 -64.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.2 m -47.2 -23.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.1 t -77.58 -48.04 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' ARG . 24.4 mt-30 -60.21 -31.01 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -69.52 -64.99 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -52.99 -37.49 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.3 -22.29 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.6 t -109.31 -66.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' SER . 3.8 p -34.67 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 10.5 m-85 -121.77 -51.01 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.57 -40.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 145.47 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.18 8.56 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.468 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 58.7 mtt85 -53.71 116.86 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.636 HD12 ' CD1' ' A' ' 74' ' ' PHE . 27.7 mt -109.33 161.25 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 mt -131.06 161.52 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.15 130.26 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -137.21 156.59 48.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -64.16 134.11 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 63' ' ' ILE . 22.8 t80 -109.38 118.65 37.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 89.2 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -83.77 18.31 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.6 ' O ' HD23 ' A' ' 91' ' ' LEU . . . -78.34 -157.69 10.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.54 144.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.704 HG11 ' HB2' ' A' ' 37' ' ' ALA . 16.1 t -98.85 144.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -95.09 -48.2 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -145.3 157.67 44.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.614 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.61 -48.59 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -48.33 -55.59 10.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 40' ' ' ILE . 4.1 tp10 -56.45 -39.86 73.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.704 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -55.7 -38.77 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 ' HD2' ' A' ' 42' ' ' ARG . 53.1 t -65.01 -52.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 -54.69 -52.65 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' A' ' 36' ' ' GLU . 47.6 mt -56.61 -46.34 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -58.32 -51.66 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.597 ' HD2' HG12 ' A' ' 38' ' ' VAL . 19.6 mtt180 -50.99 -37.72 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.62 -41.95 87.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.476 HG22 ' HD3' ' A' ' 94' ' ' LYS . 85.4 mt -67.94 -36.27 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.53 98.58 1.99 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 82.9 m-85 -48.67 153.72 1.35 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.79 163.1 82.79 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.485 HG22 ' CD1' ' A' ' 46' ' ' TYR . 33.7 m -135.49 123.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.4 ttm -87.38 135.77 33.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.9 mt -116.36 133.43 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HB2' ' HZ2' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -131.59 158.28 41.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.79 118.89 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.429 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t -49.32 -48.25 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.5 ttm-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.687 HD13 ' CE2' ' A' ' 95' ' ' PHE . 42.9 mt -130.78 141.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.66 151.18 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.421 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 63.8 m95 -118.64 -18.42 9.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -148.36 160.51 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -41.99 -46.06 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -53.82 -48.09 70.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -68.2 -48.9 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.447 HG21 ' HA ' ' A' ' 38' ' ' VAL . 86.8 m -40.61 -45.35 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -72.36 -47.06 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.06 -50.01 49.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.45 -33.34 61.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 90' ' ' LEU . 72.1 t80 -63.91 -41.76 97.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.95 -44.32 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.02 -62.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.428 ' C ' HD21 ' A' ' 90' ' ' LEU . 47.0 m -44.0 -26.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -70.72 -59.09 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -57.78 -36.72 72.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -57.66 -54.98 40.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -35.99 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.02 -58.94 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -68.12 -12.34 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.4 m -88.54 -60.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -118.13 -43.79 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.67 -23.7 3.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.646 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 2.4 m-20 -88.87 96.26 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' ARG . 10.0 p-10 -55.48 -23.87 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' ASP . 27.1 mtm180 -36.2 152.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -131.57 172.32 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 29' ' ' GLY . 79.7 mt -137.12 158.85 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -141.34 128.69 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -132.83 162.85 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HD3' HG22 ' A' ' 44' ' ' ILE . 28.0 tptt -75.77 128.4 35.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.687 ' CE2' HD13 ' A' ' 63' ' ' ILE . 13.0 t80 -101.01 116.33 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.8 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 40' ' ' ILE . 61.4 t80 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -95.56 8.43 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.497 ' O ' HD23 ' A' ' 91' ' ' LEU . . . -70.42 -149.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.72 HG11 ' HD2' ' A' ' 89' ' ' ARG . 57.9 t -145.89 132.67 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.87 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.9 t -81.04 150.95 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.23 -46.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -138.57 161.05 38.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.99 -49.5 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -53.96 -43.9 70.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.36 -39.49 94.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.87 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -60.13 -37.35 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.641 HG12 ' HD2' ' A' ' 42' ' ' ARG . 52.4 t -64.23 -50.91 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.51 -56.21 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.65 HD13 ' CE2' ' A' ' 27' ' ' PHE . 39.1 mt -55.21 -45.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.536 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -58.68 -50.59 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.641 ' HD2' HG12 ' A' ' 38' ' ' VAL . 40.7 mtp180 -52.41 -37.4 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.81 -35.34 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 27' ' ' PHE . 51.1 mt -74.23 -28.98 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.16 108.48 1.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.546 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -62.74 153.78 77.5 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.721 0.772 . . . . 0.0 110.892 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.3 Cg_endo -69.72 161.43 86.08 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.397 -0.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 ' CD1' ' A' ' 46' ' ' TYR . 17.2 m -134.66 127.57 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 ttm -87.47 130.7 34.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.412 HG23 ' O ' ' A' ' 91' ' ' LEU . 19.9 mt -113.44 136.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 93' ' ' GLU . 7.1 mtmt -138.0 158.68 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.649 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -80.83 106.65 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -41.55 -45.04 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.4 ttm-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.797 0.332 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.574 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 55.6 mt -124.44 144.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.7 140.07 50.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 62.6 m95 -110.59 -17.89 13.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -144.69 158.82 43.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.29 -45.28 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.29 -43.69 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.35 -35.24 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -60.46 -48.54 81.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -66.8 -43.15 84.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -32.62 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.97 -33.04 24.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.688 ' CD2' HD12 ' A' ' 90' ' ' LEU . 9.6 t80 -66.45 -36.79 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -65.35 -50.01 67.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.57 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -47.19 -27.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 m -72.84 -60.01 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -47.13 -39.39 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.15 -69.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.649 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -45.33 -46.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -34.44 -52.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 5.5 m -97.9 -52.15 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 66.4 m -34.54 -39.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.426 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 88.4 m-85 -125.9 -47.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.66 -21.11 2.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.91 158.12 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.73 26.38 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.72 ' HD2' HG11 ' A' ' 30' ' ' VAL . 19.2 mmt180 -71.83 123.25 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.688 HD12 ' CD2' ' A' ' 74' ' ' PHE . 20.1 mt -112.22 175.56 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 29' ' ' GLY . 36.6 mt -142.62 159.94 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' CD ' ' A' ' 93' ' ' GLU . 7.5 mt -140.53 116.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 51' ' ' LYS . 7.9 mp0 -126.72 151.1 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -55.6 136.37 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 63' ' ' ILE . 36.3 t80 -108.24 119.59 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mm . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.682 ' CE2' HG21 ' A' ' 40' ' ' ILE . 84.7 t80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -108.81 17.12 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.545 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -81.33 89.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 89' ' ' ARG . 75.7 t -35.83 135.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 37' ' ' ALA . 3.6 t -81.53 159.35 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -112.08 -37.52 5.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -145.46 175.1 10.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 71' ' ' ARG . . . -62.93 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -50.03 70.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.09 -38.32 76.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.78 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.05 -33.85 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.57 -47.05 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.3 -37.94 82.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.682 HG21 ' CE2' ' A' ' 27' ' ' PHE . 55.0 mt -72.01 -49.97 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.664 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.81 -49.84 61.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -52.81 -38.85 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.72 -39.1 84.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.668 HD12 HG22 ' A' ' 92' ' ' ILE . 42.4 mt -70.89 -31.28 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.32 109.45 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.552 ' HA ' HG13 ' A' ' 48' ' ' VAL . 89.9 m-85 -62.41 153.37 76.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.701 0.763 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.545 ' HB3' ' CE3' ' A' ' 65' ' ' TRP . 53.9 Cg_endo -69.76 155.3 93.33 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.351 -0.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.664 HG21 ' HB1' ' A' ' 41' ' ' ALA . 20.8 m -130.67 124.96 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.404 ' HA ' HG23 ' A' ' 63' ' ' ILE . 3.3 ttm -84.4 149.59 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.7 mt -130.31 116.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.9 170.86 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.688 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -97.47 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -38.82 -39.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.909 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.822 0.344 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.404 HG23 ' HA ' ' A' ' 49' ' ' MET . 40.0 mt -124.92 144.62 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.84 141.25 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.545 ' CE3' ' HB3' ' A' ' 47' ' ' PRO . 74.3 m95 -108.02 -15.85 14.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.96 158.99 41.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -37.81 -54.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.93 -46.02 31.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.66 -40.21 73.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 m -53.73 -55.74 23.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.436 ' HG2' ' HB1' ' A' ' 34' ' ' ALA . 66.6 mtt180 -62.07 -49.91 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.84 -35.23 68.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.56 -30.24 33.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.4 t80 -67.98 -30.31 69.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.3 -42.26 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.63 -39.32 57.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.2 m -69.96 -26.21 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.1 p -78.0 -49.66 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -57.77 -32.12 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.53 -68.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.688 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -48.63 -43.87 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.69 -35.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 85' ' ' PHE . 15.9 t -108.55 -59.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 10.1 m -35.11 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' SER . 44.6 m-85 -128.52 -43.9 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.51 -36.66 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.93 156.62 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -100.98 15.56 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.503 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 3.0 mmp_? -58.99 129.0 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 74' ' ' PHE . 11.0 mt -119.13 170.89 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.4 mt -141.92 160.47 40.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.668 HG22 HD12 ' A' ' 44' ' ' ILE . 20.6 mt -140.71 121.32 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -130.41 157.28 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -70.68 131.85 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -108.15 120.15 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 40' ' ' ILE . 74.4 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 56.9 m-20 -132.53 -35.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -37.56 94.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 90' ' ' LEU . 10.8 p -37.59 142.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.699 HG11 ' HB2' ' A' ' 37' ' ' ALA . 34.9 t -77.85 156.4 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -102.26 -36.98 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 32' ' ' LYS . 2.8 m-20 -157.18 163.89 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -51.5 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -45.15 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -65.17 -33.87 77.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.699 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -67.23 -31.42 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.462 ' HA ' HG21 ' A' ' 70' ' ' THR . 69.3 t -69.43 -46.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -62.54 -55.54 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.58 HD13 ' CE2' ' A' ' 27' ' ' PHE . 74.3 mt -49.89 -45.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB1' HG11 ' A' ' 48' ' ' VAL . . . -57.76 -55.2 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -50.46 -27.77 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.57 -29.94 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 92' ' ' ILE . 46.3 mt -79.73 -32.34 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 102.06 2.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.539 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 98.6 m-85 -56.44 152.95 22.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.75 159.82 89.03 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 48' ' ' VAL . 34.3 m -130.04 122.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.452 ' HA ' HG23 ' A' ' 63' ' ' ILE . 23.9 ttm -85.27 128.89 34.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.3 mt -114.94 139.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 91' ' ' LEU . 12.4 mtmm -142.6 171.8 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -88.87 107.5 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -44.42 -30.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.326 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.487 HD13 ' CD2' ' A' ' 95' ' ' PHE . 76.2 mt -124.37 155.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.475 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -130.21 153.67 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 45.8 m95 -121.02 -7.92 9.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -147.18 175.5 10.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -59.43 -48.95 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.96 -43.9 86.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.9 -43.28 99.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.462 HG21 ' HA ' ' A' ' 38' ' ' VAL . 44.8 m -49.52 -52.54 28.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.19 -61.73 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -46.51 -37.35 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.06 49.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CD2' HD12 ' A' ' 90' ' ' LEU . 2.7 t80 -74.69 -35.42 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -69.29 -42.26 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.47 -54.22 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.506 ' C ' HD21 ' A' ' 90' ' ' LEU . 48.6 m -55.3 -33.29 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.5 p -70.27 -52.17 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -55.88 -35.18 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' SER . 66.0 mm-40 -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -73.31 -29.43 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.62 72.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 t -96.17 -27.78 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 13.8 m -66.06 -68.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -98.92 -40.68 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.23 -35.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.4 155.01 16.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.27 32.1 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.494 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 9.9 mmm180 -71.24 130.61 41.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.9 mt -118.62 179.24 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' LYS . 25.7 mt -146.41 161.68 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.546 HG22 HD12 ' A' ' 44' ' ' ILE . 53.5 mt -143.91 123.64 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -133.31 154.87 50.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HD3' HG22 ' A' ' 44' ' ' ILE . 16.7 tptm -68.56 128.02 35.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CD2' HD13 ' A' ' 63' ' ' ILE . 10.9 t80 -102.33 111.8 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -139.02 158.69 43.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 0.0 110.888 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -166.21 149.51 7.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.58 131.13 7.03 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.4 p -155.64 161.77 40.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -161.29 153.78 20.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.809 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.46 101.64 0.19 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -59.49 -58.65 7.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.387 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt 58.49 41.45 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 43.0 mt -115.26 105.83 19.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.07 154.11 4.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 t 56.26 48.94 16.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.13 115.31 16.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' C ' HD12 ' A' ' 15' ' ' LEU . 5.1 mt 67.69 27.48 7.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.407 HD12 ' C ' ' A' ' 14' ' ' LEU . 7.3 mp -130.67 125.96 35.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -130.31 122.18 27.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.124 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -121.62 154.13 37.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -88.58 -39.0 14.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.914 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.713 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -137.19 142.19 42.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -44.28 103.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.713 HG13 ' O ' ' A' ' 19' ' ' ALA . 35.6 m -102.98 39.45 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -92.4 88.13 6.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.0 t -156.09 166.89 32.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.086 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.484 HG22 ' HD2' ' A' ' 25' ' ' PRO . 1.8 mt -98.81 136.81 20.55 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.683 0.754 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.484 ' HD2' HG22 ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.75 -3.49 12.11 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.647 2.231 . . . . 0.0 112.34 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 165.74 120.38 0.52 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.561 ' CD2' HG21 ' A' ' 40' ' ' ILE . 52.8 t80 -84.05 115.39 22.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.384 . . . . 0.0 110.903 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -107.97 10.02 28.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.879 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.452 ' O ' ' CG2' ' A' ' 30' ' ' VAL . . . -66.99 -133.71 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 29' ' ' GLY . 59.8 t -158.83 143.8 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.923 0.392 . . . . 0.0 111.112 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.914 HG11 ' HB2' ' A' ' 37' ' ' ALA . 11.4 t -96.75 138.3 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.081 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' C ' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -92.84 -43.05 9.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -143.05 161.25 38.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.826 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.47 -50.09 23.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -49.77 -47.93 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -63.76 -35.12 79.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.914 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -61.93 -32.83 73.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.082 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.402 HG22 ' HB ' ' A' ' 70' ' ' THR . 94.9 t -72.24 -46.29 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.089 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 70.8 mtt-85 -57.63 -49.38 76.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.561 HG21 ' CD2' ' A' ' 27' ' ' PHE . 75.2 mt -61.55 -47.1 94.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.57 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -52.28 -57.18 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.065 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -45.6 -44.88 13.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.77 -40.06 91.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 27' ' ' PHE . 77.4 mt -72.27 -34.01 48.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 95.9 110.95 2.58 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.495 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 97.6 m-85 -61.98 152.96 75.48 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 110.948 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.77 160.69 87.63 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.376 -0.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG21 ' HB1' ' A' ' 41' ' ' ALA . 27.6 m -133.82 123.9 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.491 ' HA ' HG23 ' A' ' 63' ' ' ILE . 36.6 ttm -81.55 140.32 34.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.4 mt -122.95 118.57 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -123.38 169.87 10.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -89.69 115.74 27.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -48.11 -48.12 34.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.691 ' HB1' ' CG ' ' A' ' 85' ' ' PHE . . . -52.44 -35.01 51.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.477 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -139.55 -81.52 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.63 -123.73 7.3 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.3 108.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.456 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -45.42 -40.49 8.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -78.78 99.26 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.4 -37.84 1.97 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.477 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.487 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -73.77 -176.55 2.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.825 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' N ' ' SD ' ' A' ' 61' ' ' MET . 38.7 ttt180 -130.99 158.75 39.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.64 HD13 ' CD2' ' A' ' 95' ' ' PHE . 30.9 mt -120.91 146.61 25.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.72 150.43 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.487 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 49.3 m95 -120.16 -16.53 8.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' ASP . 2.8 m-20 -148.95 153.6 38.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.826 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' ASP . 7.4 p-10 -35.97 -45.04 0.39 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -65.4 -42.21 92.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.402 ' HB ' HG22 ' A' ' 38' ' ' VAL . 31.4 m -52.82 -38.14 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.122 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -75.11 -55.68 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.37 -40.01 58.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.12 -32.94 42.15 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.663 ' CD2' HD12 ' A' ' 90' ' ' LEU . 7.7 t80 -68.08 -42.9 79.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.815 0.34 . . . . 0.0 110.87 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -56.76 -42.62 79.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.1 mt -79.5 -55.19 5.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 65.0 m -48.43 -44.06 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 t -66.72 -44.97 80.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -60.52 -35.0 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -63.47 -55.1 26.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.443 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -56.69 -30.35 63.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.069 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.19 -15.77 63.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 t -113.07 -31.44 6.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.0 m -68.15 -62.24 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.89 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.691 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 75.1 m-85 -102.65 -25.04 13.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 123.14 -41.35 1.8 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.53 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' O ' ' C ' ' A' ' 81' ' ' ALA . 2.4 m-20 -88.12 166.98 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 110.878 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -107.01 17.65 22.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 mmt-85 -58.79 120.88 9.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.663 HD12 ' CD2' ' A' ' 74' ' ' PHE . 9.9 mt -110.25 177.53 4.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' LYS . 23.7 mt -143.49 159.1 43.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.448 HG22 HD12 ' A' ' 44' ' ' ILE . 11.1 mt -141.76 117.86 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -125.18 158.34 34.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.419 ' HD3' HG22 ' A' ' 44' ' ' ILE . 15.5 tptm -74.25 128.59 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.64 ' CD2' HD13 ' A' ' 63' ' ' ILE . 4.8 t80 -105.26 119.87 40.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.897 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.3 mt -128.77 107.77 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.11 -51.11 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.846 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -79.09 147.07 68.94 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.671 0.748 . . . . 0.0 110.873 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -2.63 10.5 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -98.55 143.37 29.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.457 ' CD2' ' HB3' ' A' ' 103' ' ' SER . 10.9 t60 -99.56 99.42 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.702 ' O ' HG23 ' A' ' 102' ' ' ILE . 7.7 tp -101.48 45.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 101' ' ' HIS . 94.0 p -39.95 117.0 0.71 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 153.25 -159.14 28.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 165.74 29.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.263 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 23.0 m -158.21 159.11 35.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.9 m -62.82 157.75 20.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.47 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 p -154.33 153.11 31.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.847 0.356 . . . . 0.0 110.915 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -142.72 154.18 44.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.1 144.94 7.84 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 m -87.5 172.84 9.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.03 23.45 5.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.17 130.38 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.484 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -164.75 141.81 6.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' C ' HD12 ' A' ' 10' ' ' ILE . 17.3 pttp -169.92 127.81 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.45 HD12 ' C ' ' A' ' 9' ' ' LYS . 5.0 mp -136.62 135.98 48.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.144 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -163.7 156.6 18.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.4 m -163.01 166.0 24.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -136.78 160.03 40.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.9 tt -170.89 109.06 0.32 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 15' ' ' LEU . 4.3 mm? -116.83 94.6 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -97.59 87.33 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.08 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HD2' ' C ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -60.32 -28.12 67.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -105.98 122.76 46.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.19 85.17 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.116 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -173.97 142.72 0.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.5 p -88.5 158.98 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.35 -47.07 7.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.4 p -119.86 -179.17 3.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.117 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.47 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 1.3 mt -51.58 136.09 33.79 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.592 0.711 . . . . 0.0 111.122 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.7 Cg_endo -69.78 -1.55 8.68 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 156.16 -160.67 30.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.614 ' CE2' HD13 ' A' ' 40' ' ' ILE . 57.1 t80 -169.13 144.43 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.343 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' ' 30' ' ' VAL . 80.1 m-20 -130.59 -34.74 1.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.489 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -40.29 96.86 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.495 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.518 HG21 ' CB ' ' A' ' 89' ' ' ARG . 13.3 p -43.41 137.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.846 0.355 . . . . 0.0 111.163 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.743 HG11 ' HB2' ' A' ' 37' ' ' ALA . 43.6 t -71.7 154.45 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 31' ' ' VAL . 4.7 mmpt? -104.48 -35.37 7.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.16 155.88 25.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -40.19 -51.25 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -52.33 -43.51 64.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -65.8 -39.05 90.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.743 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.56 -32.61 74.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.427 HG12 ' HD2' ' A' ' 42' ' ' ARG . 56.1 t -67.52 -49.56 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -59.07 -52.19 66.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.614 HD13 ' CE2' ' A' ' 27' ' ' PHE . 90.3 mt -55.58 -48.2 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.504 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -54.09 -54.18 42.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.122 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.427 ' HD2' HG12 ' A' ' 38' ' ' VAL . 30.1 mtp180 -48.44 -36.92 15.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -68.61 -44.0 75.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.0 mt -65.8 -38.86 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.63 110.97 3.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.432 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.553 ' HA ' HG13 ' A' ' 48' ' ' VAL . 96.5 m-85 -64.19 153.43 85.66 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.671 0.748 . . . . 0.0 110.914 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.76 157.03 92.48 Favored 'Cis proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 -1.787 . . . . 0.0 112.351 -0.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.553 HG13 ' HA ' ' A' ' 46' ' ' TYR . 22.4 m -131.92 126.51 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 8.6 ttm -85.1 146.2 27.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.6 mt -124.45 120.76 59.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.141 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.79 176.16 5.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.576 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -99.41 112.18 24.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.127 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.478 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 2.0 t -46.76 -48.37 20.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.583 ' HB1' ' CG ' ' A' ' 85' ' ' PHE . . . -51.16 -34.83 33.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.091 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.502 ' HA3' ' CE1' ' A' ' 85' ' ' PHE . . . -132.0 -73.69 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 61.35 139.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.466 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.01 -75.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 151.67 -29.59 0.94 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.469 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.1 ttmt -112.97 81.89 1.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.361 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 150.63 -36.06 0.93 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -57.43 -175.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.81 0.338 . . . . 0.0 110.844 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 28.1 ttm-85 -113.46 156.08 24.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.409 HD13 ' CE2' ' A' ' 95' ' ' PHE . 56.6 mt -128.77 147.1 33.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -125.62 153.4 43.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.507 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -119.86 -16.95 8.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -147.1 162.97 37.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -43.79 -50.7 7.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 11.1 pt-20 -51.62 -46.25 63.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 29.9 mt-10 -68.04 -44.9 75.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.3 m -48.85 -55.89 10.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.162 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.4 mtp180 -60.3 -63.8 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -43.83 -36.55 2.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.57 -33.15 28.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 90' ' ' LEU . 1.8 t80 -68.18 -36.42 79.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 14.3 mtp-105 -66.9 -32.99 74.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.6 mt -84.22 -58.49 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.3 p -51.06 -23.78 3.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.844 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.6 p -71.51 -49.86 37.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -56.88 -39.5 74.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.79 -48.23 75.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.576 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -71.83 -31.22 66.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.48 -37.7 86.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -92.01 -48.43 6.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.6 m -47.76 -73.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.816 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.583 ' CG ' ' HB1' ' A' ' 54' ' ' ALA . 86.9 m-85 -90.06 -50.77 5.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.78 -34.71 1.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.446 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.434 ' CG ' ' HG3' ' A' ' 89' ' ' ARG . 4.4 t0 -99.48 159.8 14.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.851 0.358 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -95.76 -2.42 47.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.518 ' CB ' HG21 ' A' ' 30' ' ' VAL . 72.1 mtt180 -39.24 109.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 -179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.691 HD12 ' CD2' ' A' ' 74' ' ' PHE . 33.5 mt -102.72 175.81 5.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 mt -143.16 159.17 42.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.907 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.7 mt -140.44 124.67 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.098 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -132.26 150.06 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -61.28 133.1 55.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.409 ' CE2' HD13 ' A' ' 63' ' ' ILE . 33.3 t80 -106.23 108.98 20.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.406 HG22 ' O ' ' A' ' 98' ' ' ASN . 13.8 mt -123.66 114.18 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.13 -30.67 67.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.406 ' O ' HG22 ' A' ' 96' ' ' ILE . 17.0 m-80 -96.35 144.26 27.54 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.648 0.737 . . . . 0.0 110.866 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 166.94 25.94 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.693 2.262 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 8.0 ptt-85 -157.26 176.52 12.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -84.82 169.47 14.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 72.2 mt -124.06 132.67 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.6 t -75.61 -61.54 1.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 178.21 179.35 48.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.552 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 2.89 3.19 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.618 2.212 . . . . 0.0 112.364 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.7 p -70.51 127.19 31.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 90.9 p -68.29 -42.27 79.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.439 -179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -109.66 109.9 20.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.88 0.371 . . . . 0.0 110.859 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.9 m -78.61 -55.36 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.78 129.48 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.0 p -143.35 113.71 7.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.932 0.396 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -170.22 145.24 2.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.8 166.43 33.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -170.31 162.34 8.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -123.04 119.86 31.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.8 tp -159.45 133.61 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 12' ' ' SER . 0.6 OUTLIER -78.87 -31.34 45.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' A' ' 11' ' ' GLU . 74.6 m 36.65 49.16 0.7 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -95.65 41.42 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mp -119.02 83.41 2.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 HD13 ' HG3' ' A' ' 17' ' ' LYS . 4.6 pp -83.66 156.06 22.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.624 ' HB1' ' HD3' ' A' ' 18' ' ' LYS . . . -108.37 -56.48 2.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.077 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HG3' HD13 ' A' ' 15' ' ' LEU . 49.4 mtpt 60.76 49.86 5.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.624 ' HD3' ' HB1' ' A' ' 16' ' ' ALA . 7.8 mptt -106.3 36.28 2.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.919 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -156.71 127.15 6.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' O ' ' C ' ' A' ' 21' ' ' VAL . 4.2 tp10 -111.7 86.38 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 20' ' ' GLU . 2.8 t 34.06 52.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -82.58 -67.51 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.5 p -121.92 -176.24 3.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 5.8 mt -90.33 136.04 28.96 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.639 0.733 . . . . 0.0 111.149 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.3 Cg_endo -69.72 3.22 2.88 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 0.0 112.336 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.05 -170.83 42.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -166.28 120.48 1.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.924 0.392 . . . . 0.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -108.8 -1.13 19.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.61 -152.16 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.2 t -142.47 146.57 22.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.883 0.373 . . . . 0.0 111.126 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.944 HG11 ' HB2' ' A' ' 37' ' ' ALA . 34.9 t -90.62 146.44 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -102.39 -47.9 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.91 156.87 44.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -40.65 -46.4 2.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.74 -48.39 75.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -60.36 -43.41 96.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.944 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -57.37 -39.61 76.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.088 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.479 HG12 ' HD2' ' A' ' 42' ' ' ARG . 97.8 t -62.97 -48.7 86.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.0 mtp180 -59.55 -46.02 90.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 90.8 mt -64.16 -41.7 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.147 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.844 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -63.43 -54.11 41.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.073 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' HD2' HG12 ' A' ' 38' ' ' VAL . 6.5 mtp-105 -49.22 -38.67 27.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -63.1 -45.17 93.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.2 mt -65.98 -42.75 92.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 109.88 111.71 3.4 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.54 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 81.2 m-85 -64.24 154.33 83.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.672 0.749 . . . . 0.0 110.933 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.1 Cg_endo -69.71 158.25 91.05 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.379 -0.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.844 HG21 ' HB1' ' A' ' 41' ' ' ALA . 34.6 m -134.47 129.0 52.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.412 ' CG ' HG12 ' A' ' 63' ' ' ILE . 7.3 ttp -91.06 149.04 21.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 24.3 mt -126.15 120.85 57.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.78 166.51 11.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -88.49 110.75 21.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.094 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t -45.12 -46.11 11.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.51 -29.89 70.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -152.66 66.11 0.34 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.491 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -78.23 166.04 52.35 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.452 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 152.98 -41.15 0.69 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.529 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 109.63 -13.71 32.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 6.0 ttmm -43.83 -39.4 3.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -154.14 46.12 0.55 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.42 ' CE ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -96.35 -175.48 3.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.33 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -127.57 157.16 40.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.67 HD13 ' CE1' ' A' ' 95' ' ' PHE . 58.5 mt -124.02 157.61 30.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.128 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.492 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -134.3 153.12 52.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.53 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 47.0 m95 -119.96 -29.03 5.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.96 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -133.28 158.47 42.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -41.92 -47.62 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -54.75 -39.32 68.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.879 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -73.63 -40.76 63.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 38' ' ' VAL . 86.5 m -56.21 -48.55 76.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.19 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -66.16 -51.71 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -55.8 -40.62 72.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.22 -27.55 57.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.498 ' CD2' HD12 ' A' ' 90' ' ' LEU . 16.2 t80 -70.62 -34.88 72.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.929 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.407 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 14.6 mtp-105 -67.65 -43.36 80.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mt -74.86 -52.44 11.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.869 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.4 m -55.49 -32.56 62.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.6 t -73.9 -62.89 1.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -46.52 -30.57 2.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -67.17 -61.78 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.2 -35.8 7.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.084 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.41 -36.65 74.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.06 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 36.0 t -87.2 -12.28 47.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 7.6 t -91.54 -65.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -101.39 -44.21 5.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.95 -31.8 2.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -91.33 143.88 26.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.361 . . . . 0.0 110.839 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -94.35 4.77 53.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -55.42 126.99 27.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 74' ' ' PHE . 10.1 mt -115.08 172.21 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.913 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 84.6 mt -136.82 153.92 50.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 13.1 mt -133.5 119.14 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -127.49 146.57 50.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.5 tptt -57.46 130.25 45.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.67 ' CE1' HD13 ' A' ' 63' ' ' ILE . 50.6 t80 -101.89 123.11 45.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 98' ' ' ASN . 5.4 mm -119.15 101.0 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -75.17 -44.32 47.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.85 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.422 ' O ' HG22 ' A' ' 96' ' ' ILE . 13.2 p30 -96.36 142.9 25.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.652 0.739 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -4.01 13.16 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -59.09 -69.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -72.04 86.67 1.03 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.634 ' O ' HD12 ' A' ' 102' ' ' ILE . 2.7 pp -83.8 20.4 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.1 t 64.31 42.06 5.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 53.02 170.93 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -178.45 2.35 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.652 2.234 . . . . 0.0 112.381 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 75.7 m -99.28 179.23 4.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -133.37 -62.08 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -168.16 175.78 6.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.885 0.374 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 t -172.41 166.04 5.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.08 176.96 48.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.497 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 m -164.34 165.12 22.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -144.02 152.03 40.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.72 167.86 37.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.496 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -107.19 174.7 5.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.872 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -167.81 119.23 0.85 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 69.9 mt -114.1 131.46 65.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -140.17 146.91 39.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.2 t -136.09 147.64 47.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.619 ' HD3' HD23 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -160.47 115.4 2.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.596 HD22 ' O ' ' A' ' 13' ' ' LYS . 1.1 mm? -125.27 104.4 8.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD23 ' HD3' ' A' ' 13' ' ' LYS . 2.3 pp -141.15 164.21 30.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.503 ' N ' HD12 ' A' ' 15' ' ' LEU . . . -116.93 108.94 16.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.044 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 mmmm -144.23 -177.41 5.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 151.34 8.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -129.36 -179.84 5.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.167 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -125.97 43.39 3.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.8 m -92.96 142.05 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.164 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -44.69 149.64 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 40.2 p -138.79 165.54 26.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 7.2 mt -113.07 136.07 21.74 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.71 . . . . 0.0 111.132 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.74 2.25 3.69 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.644 2.229 . . . . 0.0 112.368 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 144.79 167.59 12.23 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 66.7 t80 -147.49 125.99 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -106.38 -36.73 6.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.585 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.69 100.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 90' ' ' LEU . 14.1 p -48.13 136.52 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.922 0.391 . . . . 0.0 111.07 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.655 HG11 ' HB2' ' A' ' 37' ' ' ALA . 4.1 t -68.65 161.16 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -108.41 -42.07 4.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -153.16 163.97 38.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.51 -51.37 27.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -49.79 -51.24 41.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 7.2 tp10 -60.63 -38.8 85.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.655 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -58.14 -37.96 75.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.408 HG11 ' HB2' ' A' ' 67' ' ' ASP . 94.9 t -67.91 -42.01 85.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 26.9 mtt180 -63.87 -57.43 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.527 HG21 ' CE2' ' A' ' 27' ' ' PHE . 59.9 mt -51.78 -49.35 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.694 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -56.66 -42.25 78.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.097 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -59.76 -33.1 71.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -74.68 -42.67 58.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.423 ' CG2' ' HB2' ' A' ' 94' ' ' LYS . 69.5 mt -63.53 -35.45 72.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.05 100.67 2.24 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.668 ' CD1' HG22 ' A' ' 48' ' ' VAL . 77.3 m-85 -54.36 154.69 8.07 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.696 0.76 . . . . 0.0 110.914 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.2 Cg_endo -69.72 163.88 80.57 Favored 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.729 -1.779 . . . . 0.0 112.337 -0.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.694 HG21 ' HB1' ' A' ' 41' ' ' ALA . 15.6 m -135.86 129.5 48.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.103 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 27.5 ttm -90.08 138.08 31.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 41.5 mt -120.61 136.86 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.186 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -136.32 173.77 11.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -93.66 110.35 21.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.073 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.426 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -45.26 -46.82 12.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.69 -32.36 29.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.549 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . 178.03 72.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -47.13 -74.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.473 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' GLY . . . 64.93 33.87 88.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 57' ' ' GLY . . . 37.08 -97.26 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 57' ' ' GLY . 25.8 mmtm -39.29 115.52 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.91 -9.73 11.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -100.54 -176.1 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.764 0.316 . . . . 0.0 110.883 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.497 ' N ' ' SD ' ' A' ' 61' ' ' MET . 25.3 ttt-85 -129.58 162.0 29.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.568 HD13 ' CE2' ' A' ' 95' ' ' PHE . 67.3 mt -125.1 150.49 30.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.45 155.65 38.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.091 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.538 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.7 m95 -122.25 -13.66 8.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -147.66 179.0 8.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' HB2' HG11 ' A' ' 38' ' ' VAL . 5.6 p-10 -59.05 -45.49 90.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.66 -46.91 83.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -65.89 -37.66 86.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.6 m -59.45 -50.21 74.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 71' ' ' ARG . 5.1 mtm105 -62.06 -46.19 90.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -56.83 -55.07 39.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.26 -29.27 73.99 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.506 ' CD2' HD12 ' A' ' 90' ' ' LEU . 54.1 t80 -68.41 -39.92 81.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.841 0.353 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -68.4 -41.05 81.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.431 ' O ' ' CD ' ' A' ' 80' ' ' GLU . 29.9 mt -73.09 -62.56 1.42 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.8 t -48.59 -34.38 11.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.5 m -65.58 -55.69 16.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -52.31 -39.32 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.431 ' CD ' ' O ' ' A' ' 76' ' ' LEU . 1.1 mp0 -58.76 -65.64 0.63 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 87' ' ' ASP . . . -49.21 -37.08 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.119 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.5 -32.1 38.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 84' ' ' SER . 16.2 t -102.92 -55.77 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 83' ' ' SER . 36.0 m -36.11 -56.82 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.549 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 96.7 m-85 -108.92 -48.61 3.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.928 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 147.14 -29.79 1.5 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.449 ' O ' ' C ' ' A' ' 81' ' ' ALA . 3.4 m-20 -102.31 167.85 9.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.862 0.363 . . . . 0.0 110.802 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -108.76 16.91 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.506 ' HD2' HG21 ' A' ' 30' ' ' VAL . 52.0 mmt-85 -58.59 127.51 32.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 30' ' ' VAL . 20.5 mt -118.72 174.79 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.469 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 20.5 mt -140.32 165.11 28.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 42.1 mt -147.37 127.08 4.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -137.64 157.31 46.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.855 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.423 ' HB2' ' CG2' ' A' ' 44' ' ' ILE . 15.1 tptm -68.76 129.92 41.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.568 ' CE2' HD13 ' A' ' 63' ' ' ILE . 3.8 t80 -103.12 122.64 45.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.8 mt -138.98 121.43 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -91.21 -37.58 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.77 144.42 45.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.657 0.741 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 161.97 43.89 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -109.8 174.77 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 48.61 42.94 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.5 tt -81.96 133.48 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.6 p -43.8 108.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -159.29 176.01 36.13 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 171.74 13.89 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.262 . . . . 0.0 112.384 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.3 m -169.17 132.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.5 p -168.43 138.01 2.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -168.33 145.5 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.851 0.358 . . . . 0.0 110.869 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -147.99 167.71 24.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.56 121.18 1.63 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.46 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.0 p -139.0 136.81 35.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -157.43 173.31 17.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 8' ' ' ASP . . . 136.35 -151.84 20.96 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.518 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER 35.21 39.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.871 0.367 . . . . 0.0 110.85 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.427 ' C ' HD12 ' A' ' 10' ' ' ILE . 38.9 mtpt -91.58 102.12 14.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.427 HD12 ' C ' ' A' ' 9' ' ' LYS . 5.3 mp -137.82 128.02 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.167 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -114.71 142.96 45.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.2 p -164.02 122.38 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.1 mtpt -127.43 98.64 5.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 14' ' ' LEU . 1.6 pt? -163.58 147.51 10.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.932 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 16' ' ' ALA . 0.3 OUTLIER -160.76 117.73 2.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.636 ' N ' HD13 ' A' ' 15' ' ' LEU . . . -157.61 178.44 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.076 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -111.37 -53.83 2.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -170.51 141.77 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.52 38.73 1.14 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -162.48 117.9 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.5 m -95.67 35.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -87.29 -66.55 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.2 p -132.2 -178.43 4.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.465 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 7.1 mt -86.85 136.11 34.73 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.671 0.748 . . . . 0.0 111.109 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.6 Cg_endo -69.82 3.01 3.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.314 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.22 145.37 5.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.454 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.597 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 24.3 t80 -114.17 99.84 7.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.863 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -88.99 51.69 2.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.597 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -122.45 90.82 0.45 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.611 HG11 ' HD2' ' A' ' 89' ' ' ARG . 92.7 t -35.26 135.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.908 0.385 . . . . 0.0 111.106 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.806 HG11 ' HB2' ' A' ' 37' ' ' ALA . 5.2 t -86.57 145.68 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.4 mmpt? -96.66 -42.35 8.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -145.61 157.32 43.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.28 -50.41 21.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -46.06 -52.16 12.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.6 tp10 -61.31 -36.45 80.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.806 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -61.64 -38.5 87.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.7 t -65.2 -52.53 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -55.15 -48.16 74.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.512 HD13 ' CE2' ' A' ' 27' ' ' PHE . 66.8 mt -60.51 -49.58 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.098 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.531 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.53 -55.02 21.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.8 mtp-105 -47.43 -41.03 19.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -64.25 -43.77 93.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 27' ' ' PHE . 63.3 mt -64.77 -42.01 93.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.072 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.66 99.6 2.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.488 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.541 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 87.1 m-85 -52.69 153.72 5.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.696 0.76 . . . . 0.0 110.926 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.2 Cg_endo -69.82 153.59 93.17 Favored 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.37 -0.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.541 HG13 ' HA ' ' A' ' 46' ' ' TYR . 26.1 m -128.72 125.57 63.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 31.2 ttm -84.99 150.7 24.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.451 HG23 ' O ' ' A' ' 91' ' ' LEU . 26.2 mt -132.72 115.36 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -114.8 166.05 12.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.65 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -87.74 107.67 18.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.464 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.4 t -42.33 -37.02 1.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.598 ' O ' ' CD1' ' A' ' 85' ' ' PHE . . . -88.23 42.23 1.05 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.146 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.572 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . 137.93 59.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.505 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -87.5 -114.72 1.07 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 57.83 27.54 59.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.488 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.16 53.77 31.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.1 mttm -106.92 97.05 6.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.7 43.53 5.16 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.29 -176.78 5.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -126.21 154.07 43.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.849 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.704 HD13 ' CE2' ' A' ' 95' ' ' PHE . 58.7 mt -121.05 144.81 28.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.84 146.96 43.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.526 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 60.0 m95 -113.73 -18.39 11.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -147.32 164.83 31.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.838 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -45.21 -49.88 11.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -51.5 -43.56 62.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -72.65 -36.27 67.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 24.4 m -58.46 -44.96 89.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -70.8 -51.55 26.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.15 -34.33 71.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.45 -30.29 37.28 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.545 ' CD2' HD12 ' A' ' 90' ' ' LEU . 10.9 t80 -71.94 -32.66 67.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.861 0.362 . . . . 0.0 110.915 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -71.58 -47.63 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mt -72.61 -35.81 67.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.466 ' O ' HD21 ' A' ' 90' ' ' LEU . 32.5 m -69.1 -28.36 66.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 p -75.38 -53.04 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -52.48 -33.35 44.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.86 -59.47 4.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.65 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -61.03 -35.41 76.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.07 -46.88 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.9 t -89.66 -55.97 3.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 42.8 t -35.41 -68.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 78.5 m-85 -95.06 -49.35 5.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 149.6 -34.48 1.06 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.446 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.45 ' O ' ' C ' ' A' ' 81' ' ' ALA . 0.9 OUTLIER -100.9 155.86 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.861 0.363 . . . . 0.0 110.819 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -99.27 16.72 22.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HD2' HG11 ' A' ' 30' ' ' VAL . 12.6 mmm180 -58.87 123.45 16.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.545 HD12 ' CD2' ' A' ' 74' ' ' PHE . 12.3 mt -115.65 175.64 5.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.451 ' O ' HG23 ' A' ' 50' ' ' ILE . 49.9 mt -143.89 166.57 24.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 22.1 mt -145.62 117.31 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.493 ' N ' ' OE1' ' A' ' 93' ' ' GLU . 15.9 mp0 -127.71 153.38 46.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -64.49 136.31 56.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.704 ' CE2' HD13 ' A' ' 63' ' ' ILE . 31.8 t80 -111.29 120.37 42.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.2 mt -131.74 113.62 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -53.28 -42.39 66.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -160.86 141.91 8.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 153.78 68.56 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.71 2.273 . . . . 0.0 112.303 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 29.9 mtm180 -144.57 169.44 17.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 57.7 t-80 -114.84 86.94 2.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.429 ' CG1' ' N ' ' A' ' 103' ' ' SER . 15.5 tt -123.32 159.55 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.429 ' N ' ' CG1' ' A' ' 102' ' ' ILE . 17.5 m -159.32 145.86 16.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.01 -158.34 18.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.539 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -174.59 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.719 2.28 . . . . 0.0 112.349 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.7 m -131.01 174.44 10.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.821 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.0 t 53.43 42.05 32.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.451 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -170.02 155.48 5.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -173.78 176.28 2.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.41 151.55 5.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -172.26 174.3 3.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.6 p -167.56 173.41 8.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.8 132.77 3.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -167.28 171.06 11.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -115.34 142.56 46.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.6 mt -125.83 128.58 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.137 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -144.61 146.75 32.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.2 p -159.67 111.98 2.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HD3' ' N ' ' A' ' 14' ' ' LEU . 6.3 tmtm? -144.8 117.69 8.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' N ' ' HD3' ' A' ' 13' ' ' LYS . 64.9 mt -130.12 159.3 37.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -150.76 134.64 16.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.28 107.86 6.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.104 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.49 119.32 24.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt 39.54 52.99 2.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.19 149.33 23.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.089 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.47 138.04 56.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 10.4 m -113.88 -2.1 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.08 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -129.65 103.72 7.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.6 t -165.87 174.27 9.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 3.1 mt -122.61 136.19 26.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.584 0.707 . . . . 0.0 111.157 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.72 -4.29 13.71 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -178.08 -165.63 33.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.696 ' CE2' HG21 ' A' ' 40' ' ' ILE . 57.1 t80 -173.43 107.58 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.908 0.385 . . . . 0.0 110.882 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 32.0 p-10 -81.9 -34.87 29.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.95 105.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 90' ' ' LEU . 6.7 p -63.3 137.71 24.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.836 0.35 . . . . 0.0 111.134 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.716 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.3 t -74.31 160.46 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.166 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' HG12 ' A' ' 31' ' ' VAL . 8.7 mmtp -116.38 -36.07 4.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 34' ' ' ALA . 24.3 p-10 -153.02 149.41 28.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 33' ' ' ASP . . . -37.97 -48.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.62 -54.44 22.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -57.33 -39.0 74.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -57.99 -38.94 77.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.055 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.54 HG12 ' HD2' ' A' ' 42' ' ' ARG . 50.3 t -67.14 -51.97 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.3 mtt85 -53.75 -46.97 71.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.696 HG21 ' CE2' ' A' ' 27' ' ' PHE . 83.9 mt -65.68 -52.74 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.561 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -48.32 -48.0 36.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.54 ' HD2' HG12 ' A' ' 38' ' ' VAL . 37.0 mtp180 -56.44 -37.86 70.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.82 -46.51 71.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.1 mt -61.34 -35.13 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 99.2 106.7 2.71 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 97.4 m-85 -62.17 153.02 76.61 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.682 0.753 . . . . 0.0 110.927 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.75 163.11 82.65 Favored 'Cis proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.354 -0.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.561 HG21 ' HB1' ' A' ' 41' ' ' ALA . 33.7 m -136.72 123.03 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.0 ttm -84.09 135.4 34.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.577 HG23 ' O ' ' A' ' 91' ' ' LEU . 59.2 mt -114.96 135.52 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.421 ' HB2' ' NZ ' ' A' ' 51' ' ' LYS . 1.3 mtmp? -134.52 160.68 37.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -79.02 114.49 18.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -44.13 -45.59 8.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.17 -37.08 9.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -174.53 64.22 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -51.09 170.58 0.26 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.493 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -150.09 -117.92 0.86 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -179.24 -40.91 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -101.34 39.06 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -162.07 -40.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.508 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.483 ' CG ' ' O ' ' A' ' 50' ' ' ILE . 0.0 OUTLIER -57.84 -176.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 110.845 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.438 ' N ' ' HG2' ' A' ' 61' ' ' MET . 25.7 ttm-85 -111.95 155.43 23.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.7 HD13 ' CE1' ' A' ' 95' ' ' PHE . 52.4 mt -126.7 140.56 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -117.96 154.49 31.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.518 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.3 m95 -120.9 -24.51 5.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -141.07 162.94 34.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.79 -54.13 4.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.22 -44.17 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -68.88 -45.08 71.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.8 m -48.17 -53.62 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.192 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -59.77 -61.19 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -48.21 -33.24 8.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -83.39 -32.63 24.79 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.511 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.44 ' CD2' HD12 ' A' ' 90' ' ' LEU . 12.9 t80 -70.0 -32.57 70.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.901 0.382 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -67.78 -46.56 71.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' SER . 24.2 mt -74.32 -62.06 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' LEU . 12.1 t -37.45 -48.16 0.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.404 ' HB2' HD11 ' A' ' 90' ' ' LEU . 22.6 t -61.69 -59.74 4.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -46.27 -35.88 5.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -66.53 -51.43 56.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.877 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 87' ' ' ASP . . . -51.86 -34.08 39.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.23 -26.87 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.0 t -91.77 -29.45 16.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 49.0 m -75.67 -74.51 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.901 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -95.35 -47.44 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 138.03 -20.92 3.19 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.487 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.482 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 63.6 m-20 -91.84 117.4 29.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -68.35 -9.07 45.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HB3' HG21 ' A' ' 30' ' ' VAL . 13.6 mmm-85 -47.68 145.54 2.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.566 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.9 mt -128.83 171.98 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 50' ' ' ILE . 26.7 mt -136.86 174.41 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.7 mt -155.26 123.88 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -134.57 146.33 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 15.4 tptm -53.11 136.49 35.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.7 ' CE1' HD13 ' A' ' 63' ' ' ILE . 40.0 t80 -106.7 117.86 35.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.0 mm -119.88 106.33 18.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.64 -40.69 11.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.9 m-20 -80.94 160.73 65.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.579 0.704 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -3.66 12.46 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -66.74 98.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -145.98 131.51 18.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.834 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 102' ' ' ILE . 5.1 mp -114.05 94.11 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.4 t -54.72 -53.18 58.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 76.9 145.11 1.88 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 106' ' ' SER . 53.7 Cg_endo -69.79 108.17 2.03 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.335 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 105' ' ' PRO . 24.9 p 34.35 45.08 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.825 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.0 p -124.08 172.24 9.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 m -158.74 117.0 2.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 110.853 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.4 p -158.7 176.81 11.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.97 165.13 23.57 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.453 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -164.78 170.75 15.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -172.24 163.23 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.36 151.69 6.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.438 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -122.53 145.41 48.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.846 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -164.1 171.45 15.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 7.1 tt 39.01 29.19 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 9' ' ' LYS . 12.5 pt-20 -86.12 138.11 32.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -174.66 119.7 0.22 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HD2' ' C ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER -146.68 153.22 40.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 14' ' ' LEU . 1.5 pp -160.73 125.71 3.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 tt -115.04 82.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -137.51 120.01 15.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -49.39 -44.46 45.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.65 106.03 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.08 86.75 2.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -164.91 136.86 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.933 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.8 t -107.18 109.25 27.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -111.53 -54.32 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.0 p -138.51 156.93 47.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.595 HD12 HG12 ' A' ' 44' ' ' ILE . 1.8 mt -117.14 136.8 23.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.68 0.752 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.501 ' HD2' HG22 ' A' ' 24' ' ' ILE . 54.1 Cg_endo -69.73 -1.11 7.89 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.666 2.244 . . . . 0.0 112.339 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 155.15 -165.79 32.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.497 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 58.4 t80 -172.79 134.17 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.882 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' GLY . 2.2 m-20 -114.21 -38.87 4.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.592 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -36.15 97.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.544 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.683 HG23 ' O ' ' A' ' 90' ' ' LEU . 13.5 p -46.26 142.2 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.871 0.367 . . . . 0.0 111.139 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 37' ' ' ALA . 60.9 t -74.8 151.54 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -99.68 -35.59 9.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -158.18 153.54 25.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -39.34 -53.46 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -50.59 -41.39 54.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.51 -35.18 77.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -64.64 -33.73 76.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.526 HG22 ' HB ' ' A' ' 70' ' ' THR . 91.2 t -70.74 -41.89 77.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.4 mtt-85 -62.34 -57.15 12.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.579 HG21 ' CE2' ' A' ' 27' ' ' PHE . 28.4 mt -55.86 -40.02 59.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.452 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -59.33 -55.18 38.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -48.57 -40.23 26.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' HB3' HD11 ' A' ' 24' ' ' ILE . 5.8 mt-10 -62.57 -47.98 81.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.595 HG12 HD12 ' A' ' 24' ' ' ILE . 38.8 mt -61.46 -41.12 88.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.48 95.07 2.36 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.458 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.542 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 78.7 m-85 -48.15 154.08 1.12 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.669 0.747 . . . . 0.0 110.952 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.4 Cg_endo -69.73 163.31 82.07 Favored 'Cis proline' 0 C--O 1.232 0.197 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.362 -0.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' HA ' ' A' ' 46' ' ' TYR . 28.1 m -137.94 123.62 25.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.581 ' HA ' HG23 ' A' ' 63' ' ' ILE . 24.5 ttm -81.08 140.69 34.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 39.0 mt -123.11 130.22 74.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.119 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.438 ' NZ ' ' CD ' ' A' ' 93' ' ' GLU . 6.3 mtmt -129.52 174.9 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.72 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -100.16 108.63 20.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 t -45.07 -46.48 11.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -47.45 -36.96 10.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -136.1 -70.28 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.452 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.2 -170.25 4.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 145.29 -49.11 0.68 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.451 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.24 -22.88 3.04 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -110.57 136.44 49.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.887 0.375 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.02 -34.91 4.62 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.47 ' CE ' ' O ' ' A' ' 61' ' ' MET . 0.0 OUTLIER -64.93 -175.34 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.814 0.34 . . . . 0.0 110.854 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' N ' ' SD ' ' A' ' 61' ' ' MET . 26.2 ttt180 -133.61 155.78 49.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.581 HG23 ' HA ' ' A' ' 49' ' ' MET . 51.0 mt -119.55 155.76 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.455 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -128.15 150.54 49.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.133 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.521 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 38.9 m95 -119.03 -10.54 9.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -152.85 163.03 40.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -42.99 -55.03 3.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.839 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -48.14 -45.65 33.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -68.45 -43.91 76.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.526 ' HB ' HG22 ' A' ' 38' ' ' VAL . 33.5 m -49.95 -52.83 30.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.176 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.1 -62.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -43.77 -46.77 7.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.93 -28.63 64.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 90' ' ' LEU . 38.0 t80 -69.82 -39.05 76.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.853 0.359 . . . . 0.0 110.883 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -64.67 -47.39 78.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' SER . 10.2 mt -68.75 -64.5 0.85 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.425 ' O ' HD21 ' A' ' 90' ' ' LEU . 57.4 m -44.74 -22.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' LEU . 42.6 t -80.59 -61.83 1.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.877 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -49.19 -31.8 9.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -67.03 -51.91 48.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.72 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -59.88 -25.11 64.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.065 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.42 -20.04 25.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.155 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 t -99.65 -6.7 26.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.8 p -102.97 -58.94 1.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.878 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -104.07 -47.3 4.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.1 -32.18 2.02 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 142.68 27.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.754 0.312 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -101.1 21.75 13.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.854 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.605 ' HB3' HG21 ' A' ' 30' ' ' VAL . 49.3 mtt180 -69.48 125.8 27.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.1 mt -111.45 166.03 11.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.9 mt -132.96 160.31 37.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.469 HD11 HG21 ' A' ' 31' ' ' VAL . 14.7 mt -141.23 124.34 15.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.438 ' CD ' ' NZ ' ' A' ' 51' ' ' LYS . 60.1 mt-10 -133.79 158.07 44.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -65.73 130.0 41.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.548 ' CE1' HD13 ' A' ' 63' ' ' ILE . 61.6 t80 -102.24 115.44 30.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt -126.59 111.46 26.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -86.24 -39.43 16.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 100' ' ' ARG . 3.8 p-10 -85.09 142.48 38.52 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.655 0.74 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -3.71 12.59 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.262 . . . . 0.0 112.3 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.498 ' O ' ' ND2' ' A' ' 98' ' ' ASN . 26.1 mmt180 -98.7 129.94 45.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 24.5 p80 -97.77 43.93 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 43.6 mt -124.52 100.01 6.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 2.1 m -75.42 125.49 29.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -166.32 171.51 41.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.486 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 157.2 61.13 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.655 2.237 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 p -115.0 157.75 23.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.838 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.3 t -135.69 156.84 48.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.3 p -174.68 156.2 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.86 0.362 . . . . 0.0 110.916 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -172.28 171.47 4.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.11 153.98 8.75 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -173.5 146.39 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.905 0.383 . . . . 0.0 110.894 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.1 m -169.62 174.12 6.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.851 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 166.95 139.97 2.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.531 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 21.7 m-20 -173.38 108.57 0.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.864 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.25 125.83 39.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.7 tp -164.87 135.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.106 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -152.47 128.21 10.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.1 t -167.03 142.37 4.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -169.51 109.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.595 ' C ' HD12 ' A' ' 15' ' ' LEU . 16.1 tp -126.16 111.8 15.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.595 HD12 ' C ' ' A' ' 14' ' ' LEU . 5.6 mp -152.37 129.92 11.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.17 148.91 13.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.091 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 pttm -148.42 141.06 24.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -109.18 43.34 1.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.09 91.78 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.036 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -135.9 142.29 44.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 91.2 t -115.77 -59.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 22' ' ' ASN . 0.0 OUTLIER -136.38 116.5 13.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.6 m -117.83 146.02 44.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.474 ' CG2' ' HD2' ' A' ' 25' ' ' PRO . 4.5 mt -89.28 136.15 30.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.583 0.706 . . . . 0.0 111.143 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 24' ' ' ILE . 53.5 Cg_endo -69.85 0.48 5.66 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.628 2.219 . . . . 0.0 112.346 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.41 156.61 6.92 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.61 ' CD2' HG21 ' A' ' 40' ' ' ILE . 50.3 t80 -129.96 143.74 50.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.876 0.37 . . . . 0.0 110.853 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 30' ' ' VAL . 1.9 p-10 -125.44 -33.53 2.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.537 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.56 92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.52 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.526 HG21 ' HB3' ' A' ' 89' ' ' ARG . 8.1 p -39.2 135.48 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 111.12 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.816 HG11 ' HB2' ' A' ' 37' ' ' ALA . 24.4 t -68.26 159.27 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.113 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.498 ' N ' HG12 ' A' ' 31' ' ' VAL . 9.0 mmpt? -111.41 -41.04 4.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' HA ' ' CZ ' ' A' ' 74' ' ' PHE . 3.1 m-20 -154.74 156.25 36.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.607 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -41.68 -46.82 3.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.125 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.48 -43.28 79.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -68.23 -36.86 80.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.816 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.41 -33.1 74.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.577 ' HA ' HG21 ' A' ' 70' ' ' THR . 53.3 t -69.03 -49.24 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.9 mtp85 -57.88 -57.59 12.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.61 HG21 ' CD2' ' A' ' 27' ' ' PHE . 29.8 mt -51.01 -49.8 26.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.651 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.82 -62.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.447 ' HD2' HG12 ' A' ' 38' ' ' VAL . 13.0 mtp85 -40.77 -40.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.817 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.26 -39.71 92.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.469 HD12 HG22 ' A' ' 92' ' ' ILE . 50.2 mt -69.56 -31.2 48.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 94.19 105.98 1.9 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.497 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.562 ' HA ' HG13 ' A' ' 48' ' ' VAL . 91.8 m-85 -59.92 153.73 52.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.645 0.736 . . . . 0.0 110.963 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.76 156.56 92.72 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.691 -1.796 . . . . 0.0 112.319 -0.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.651 HG21 ' HB1' ' A' ' 41' ' ' ALA . 23.0 m -132.22 124.91 53.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.169 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 15.6 ttm -81.43 151.06 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 49.2 mt -131.96 118.68 38.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.18 173.94 6.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.661 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -96.96 108.54 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -43.01 -47.87 5.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.57 -44.92 1.01 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.087 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -136.98 -58.66 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 55.56 -134.43 49.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.535 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 100.95 -28.94 13.73 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 108.95 47.88 0.86 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.513 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.7 tptt -161.44 136.4 7.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.52 20.08 76.81 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.19 176.2 5.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 110.881 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -123.22 156.95 34.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.574 HD13 ' CE1' ' A' ' 95' ' ' PHE . 70.1 mt -122.01 146.39 27.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.143 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.7 148.46 43.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.529 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 46.2 m95 -115.44 -14.68 11.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -151.3 161.6 42.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.444 ' C ' ' OD1' ' A' ' 67' ' ' ASP . 40.9 t0 -40.98 -58.76 1.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 15.9 pt-20 -44.79 -44.39 9.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 25.6 mt-10 -70.57 -43.53 69.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.577 HG21 ' HA ' ' A' ' 38' ' ' VAL . 37.2 m -51.82 -48.39 63.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 57.5 mtm180 -66.74 -51.5 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.52 -34.81 64.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.06 -38.41 15.53 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.607 ' CE2' ' N ' ' A' ' 34' ' ' ALA . 41.3 t80 -63.27 -30.5 71.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -72.13 -52.28 17.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.46 -57.49 6.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.7 m -50.02 -24.66 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.4 t -75.13 -56.54 4.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.829 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -51.43 -27.35 9.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -68.59 -66.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.661 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -52.68 -25.08 9.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.07 -51.5 67.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.9 t -83.99 -43.24 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.802 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -46.29 -71.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.798 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 97.9 m-85 -93.81 -53.16 4.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 152.01 -25.17 0.91 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 81' ' ' ALA . 16.4 m-20 -107.13 169.16 8.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 0.0 110.817 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -109.95 9.6 24.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.526 ' HB3' HG21 ' A' ' 30' ' ' VAL . 48.5 mmt-85 -55.36 118.6 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.7 mt -109.28 176.64 5.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.411 ' C ' HG13 ' A' ' 92' ' ' ILE . 16.3 mt -139.27 174.44 10.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.469 HG22 HD12 ' A' ' 44' ' ' ILE . 50.7 mt -154.7 120.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -132.68 150.05 52.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.0 tptt -56.2 132.16 49.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 63' ' ' ILE . 75.7 t80 -106.07 114.87 29.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.6 mt -126.54 113.71 34.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -88.72 -51.14 5.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -93.75 157.71 37.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.602 0.715 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 157.86 59.04 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.71 2.273 . . . . 0.0 112.363 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.423 ' HB3' ' NH1' ' A' ' 100' ' ' ARG . 9.9 mtp-105 -149.42 173.96 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 m80 -134.17 169.79 16.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.81 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.6 pt -111.73 163.08 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.1 t -103.39 -55.2 2.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.3 161.62 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.451 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 1.84 4.03 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.724 2.283 . . . . 0.0 112.389 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 52.5 p -39.18 121.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.0 m -55.85 -52.72 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.795 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 1' ' ' GLY . 3.6 m 34.6 49.58 0.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.867 0.365 . . . . 0.0 110.845 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -121.33 169.13 10.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.33 176.34 44.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 m -159.59 168.78 25.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 0.0 110.873 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -171.05 153.04 3.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.74 169.06 32.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -169.77 124.11 0.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.874 0.369 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.02 128.93 17.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.0 mt -138.52 120.62 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.144 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -174.87 108.98 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.5 p -136.56 127.82 28.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -161.99 146.98 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.6 tp -108.71 40.02 1.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -171.87 109.15 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -115.72 63.84 0.69 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.077 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -145.24 150.77 37.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 32.4 mtmt -95.5 -50.5 4.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -175.05 131.51 0.31 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.098 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -89.6 136.05 33.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.413 HG22 ' N ' ' A' ' 22' ' ' ASN . 8.4 p -89.12 159.83 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.13 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.413 ' N ' HG22 ' A' ' 21' ' ' VAL . 63.2 t30 -98.32 -43.32 6.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 p -128.38 179.96 5.36 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.57 HG23 ' HD2' ' A' ' 25' ' ' PRO . 43.9 mt -61.55 137.38 94.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.622 0.725 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 24' ' ' ILE . 54.0 Cg_endo -69.79 79.64 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.704 2.269 . . . . 0.0 112.339 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.75 -161.29 49.53 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.462 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.907 ' CE2' HG21 ' A' ' 40' ' ' ILE . 49.3 t80 -171.13 134.32 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.832 0.349 . . . . 0.0 110.851 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -114.14 -29.37 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.576 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -38.29 103.63 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG11 ' HE ' ' A' ' 89' ' ' ARG . 61.3 t -52.35 138.15 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.904 0.383 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.724 HG11 ' HB2' ' A' ' 37' ' ' ALA . 11.5 t -78.12 149.45 5.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HE2' ' C ' ' A' ' 31' ' ' VAL . 7.4 mmpt? -101.29 -40.13 7.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -152.62 152.9 32.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.549 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.1 -49.38 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -52.19 -48.67 64.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.44 -39.25 86.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.724 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -56.55 -40.81 75.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.055 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.63 -55.28 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.121 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -52.61 -52.47 55.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.907 HG21 ' CE2' ' A' ' 27' ' ' PHE . 61.0 mt -56.33 -44.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.87 -61.68 2.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 mtp180 -41.61 -35.86 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.72 -53.73 14.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.485 HD11 ' HB3' ' A' ' 27' ' ' PHE . 69.0 mt -55.07 -47.57 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 111.91 105.55 2.81 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.537 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -60.16 153.75 55.27 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.706 0.765 . . . . 0.0 110.897 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.79 159.38 89.87 Favored 'Cis proline' 0 C--O 1.231 0.158 0 C-N-CA 122.662 -1.808 . . . . 0.0 112.361 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.533 HG22 ' CD1' ' A' ' 46' ' ' TYR . 22.2 m -131.84 125.77 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 19.5 ttm -89.01 138.74 31.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 91' ' ' LEU . 19.3 mt -117.48 134.18 61.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 91' ' ' LEU . 5.7 mtmt -133.41 152.89 51.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.729 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -80.09 114.05 18.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.091 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 t -46.51 -49.77 18.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.808 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.527 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . -40.37 -32.41 0.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.048 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.537 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -171.04 57.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.463 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -66.15 -142.53 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.445 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.99 -38.55 3.25 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 113.75 41.9 0.9 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -92.49 33.02 1.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 116.15 23.95 4.03 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.443 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -64.54 -176.79 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.8 0.333 . . . . 0.0 110.87 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.443 ' N ' ' HG2' ' A' ' 61' ' ' MET . 34.7 ttm-85 -112.93 156.79 22.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.616 HD13 ' CE2' ' A' ' 95' ' ' PHE . 30.3 mt -128.5 146.97 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.85 155.47 39.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.509 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 55.9 m95 -122.01 -25.8 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -135.53 165.3 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -46.67 -49.18 19.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -53.63 -45.32 70.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -66.55 -41.2 89.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 65.1 m -55.73 -54.87 39.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.124 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -59.37 -55.2 37.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -37.01 67.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.98 -27.04 59.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.632 ' CD1' HD12 ' A' ' 90' ' ' LEU . 21.3 t80 -73.65 -33.66 64.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -70.62 -42.92 70.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.2 mt -66.88 -62.24 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 74.5 m -50.73 -23.47 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -70.56 -56.55 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -51.81 -40.41 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.48 -70.02 0.18 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.729 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.73 -35.25 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.42 -33.22 74.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 48.3 t -103.25 -62.1 1.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 88.0 p -34.85 -54.18 0.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.537 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 97.9 m-85 -106.89 -51.0 3.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.917 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.95 -30.75 1.9 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -100.91 145.1 29.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.84 0.352 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -90.67 16.45 9.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.44 ' HE ' HG11 ' A' ' 30' ' ' VAL . 24.9 mmm-85 -63.42 128.04 34.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.632 HD12 ' CD1' ' A' ' 74' ' ' PHE . 16.6 mt -117.53 174.89 5.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.507 ' O ' HG23 ' A' ' 50' ' ' ILE . 32.0 mt -144.73 158.58 43.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.967 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.457 HD11 HG21 ' A' ' 31' ' ' VAL . 26.3 mt -139.68 127.07 24.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -134.67 156.81 48.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.474 ' HD3' HG22 ' A' ' 44' ' ' ILE . 23.4 tptp -68.2 132.01 46.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.616 ' CE2' HD13 ' A' ' 63' ' ' ILE . 6.8 t80 -103.71 115.15 29.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.7 mt -130.92 112.12 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -75.68 -35.52 60.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.428 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 3.3 t30 -156.69 140.51 11.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.655 0.74 . . . . 0.0 110.877 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 53.8 Cg_endo -69.76 176.03 7.32 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.725 2.283 . . . . 0.0 112.31 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 48.7 ttp180 -168.45 143.34 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 76.4 m-70 -44.68 169.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.502 ' C ' HD12 ' A' ' 102' ' ' ILE . 2.7 pp -74.05 159.35 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.174 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.0 t -155.28 161.6 41.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -114.35 146.76 18.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.457 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 138.34 37.35 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.661 2.241 . . . . 0.0 112.324 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.9 p -143.79 106.58 4.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.4 t -166.9 158.97 13.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.832 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 p 63.52 33.71 13.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -127.27 151.55 48.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.09 105.16 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -150.16 121.13 7.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.922 0.391 . . . . 0.0 110.849 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.4 t -150.82 162.41 40.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.429 ' O ' ' CG ' ' A' ' 8' ' ' ASP . . . 153.58 127.29 1.17 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 7' ' ' GLY . 26.1 m-20 -163.54 127.38 2.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.868 0.366 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.4 mtmm -140.86 149.96 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.7 tt -174.5 135.75 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -166.95 120.52 1.0 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.5 m -147.21 116.86 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.3 mmtp -125.75 157.27 37.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tt -171.8 130.39 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -163.52 115.31 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -161.76 120.25 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.06 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 140.18 22.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -151.75 143.27 23.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -174.79 173.25 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.1 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -148.45 146.32 28.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -118.66 115.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.414 ' ND2' ' H ' ' A' ' 22' ' ' ASN . 1.2 p30 -71.98 91.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.4 t -163.93 175.54 10.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -57.43 133.64 81.73 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.657 0.741 . . . . 0.0 111.107 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 4.28 2.28 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.627 2.218 . . . . 0.0 112.388 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 175.47 -155.02 19.22 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.569 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 56.9 t80 -170.71 146.26 2.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.825 0.345 . . . . 0.0 110.846 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -128.93 -31.42 2.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.569 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -39.57 97.59 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG21 ' HB3' ' A' ' 89' ' ' ARG . 9.0 p -44.47 140.65 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 111.112 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.649 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.4 t -83.28 161.22 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.457 ' N ' HG12 ' A' ' 31' ' ' VAL . 31.0 mmtt -110.62 -44.75 3.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.26 161.65 38.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.4 -50.1 32.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.117 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -50.57 -43.25 56.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.4 -36.17 80.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.649 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -66.22 -30.09 70.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.0 t -72.38 -41.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 85.3 mtt-85 -65.51 -55.29 18.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.548 HG21 ' CE2' ' A' ' 27' ' ' PHE . 60.0 mt -53.55 -46.35 60.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.159 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.87 -58.13 8.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.1 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.1 mtp-105 -44.96 -44.0 9.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -63.74 -43.49 96.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 36.9 mt -62.07 -41.83 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.136 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.19 94.92 2.26 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.539 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 82.3 m-85 -48.96 154.08 1.36 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.654 0.74 . . . . 0.0 110.936 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.79 162.54 84.0 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.341 -0.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 46' ' ' TYR . 35.3 m -136.28 123.11 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.109 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.51 ' HA ' HG23 ' A' ' 63' ' ' ILE . 30.0 ttm -84.03 128.52 34.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.92 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 45.7 mt -109.77 130.88 62.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -131.72 179.32 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.44 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.2 t -54.21 -44.35 71.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -49.96 -34.47 20.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -147.49 -60.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.548 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 52.71 -144.63 21.44 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 105.48 -38.03 3.51 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 114.38 16.44 7.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -69.47 -71.34 0.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.842 0.353 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -124.69 42.48 1.53 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.495 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -91.97 -174.88 3.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.775 0.321 . . . . 0.0 110.878 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.495 ' N ' ' SD ' ' A' ' 61' ' ' MET . 20.4 ttt180 -135.81 152.83 51.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.522 HD13 ' CE2' ' A' ' 95' ' ' PHE . 41.4 mt -111.95 148.45 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.26 146.14 45.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.094 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.445 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 61.8 m95 -114.93 -28.19 7.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -134.22 166.35 22.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.833 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -48.3 -56.48 7.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -50.09 -34.47 21.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -73.12 -45.85 54.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.41 HG21 ' C ' ' A' ' 37' ' ' ALA . 54.2 m -49.75 -46.75 50.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.16 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.8 mtm180 -66.78 -58.39 5.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.65 -45.51 19.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.51 -30.09 54.23 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.579 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.4 t80 -69.03 -38.05 78.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.866 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -62.94 -42.82 99.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.3 mt -74.96 -63.17 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.419 ' C ' HD21 ' A' ' 90' ' ' LEU . 9.3 m -40.57 -44.31 2.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.7 t -61.17 -48.67 80.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -60.4 -35.51 75.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.909 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.81 -52.19 61.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.528 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -50.92 -41.02 58.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.074 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -54.39 -74.01 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.9 m -52.4 -40.08 61.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.5 m -55.29 -73.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.416 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 71.4 m-85 -99.4 -49.58 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.851 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 152.8 -42.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.469 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -84.71 160.31 20.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -108.75 21.17 17.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.5 ' HB3' HG21 ' A' ' 30' ' ' VAL . 89.9 mtt-85 -66.26 121.78 16.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.579 HD12 ' CD2' ' A' ' 74' ' ' PHE . 14.7 mt -106.41 168.32 9.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 36.0 mt -135.46 166.42 23.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 24.4 mt -149.22 121.94 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -129.19 154.2 46.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.0 tptm -67.03 130.45 43.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.522 ' CE2' HD13 ' A' ' 63' ' ' ILE . 3.5 t80 -100.49 120.14 39.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 16.4 mt -133.72 121.7 40.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -92.7 -68.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -59.8 157.23 30.16 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.638 0.733 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 155.05 66.87 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.718 2.278 . . . . 0.0 112.32 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -145.57 167.14 23.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -111.64 120.75 43.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 103' ' ' SER . 31.4 pt -114.22 39.26 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.078 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' ILE . 85.5 p -35.54 -57.07 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 167.14 85.31 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 144.79 54.92 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 26.4 m -94.54 -53.18 3.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 41.0 t -68.04 88.96 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.503 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 p -173.8 140.09 0.73 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.868 0.366 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -165.47 175.45 9.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.79 166.1 38.86 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.447 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.7 p -171.16 173.15 5.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.367 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.8 p -173.3 152.01 2.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.39 -152.98 6.41 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -147.7 136.59 22.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.865 0.364 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.87 144.39 2.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.2 tt -133.06 82.14 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -162.1 109.71 1.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 78.8 p -137.09 107.46 6.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -171.58 134.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.6 mt -116.74 39.01 3.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.5 tp -95.99 99.56 11.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.29 152.28 47.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.91 167.24 22.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.86 -38.61 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -173.12 122.85 0.4 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.24 34.76 1.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 23' ' ' THR . 35.5 m -121.81 39.37 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.09 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.437 ' C ' ' O ' ' A' ' 21' ' ' VAL . 10.2 t-20 -34.52 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 21' ' ' VAL . 11.5 p -134.15 172.01 13.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 26' ' ' GLY . 5.2 mt -78.8 132.85 63.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.631 0.729 . . . . 0.0 111.152 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 4.89 1.9 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.697 2.264 . . . . 0.0 112.351 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' H ' HG22 ' A' ' 24' ' ' ILE . . . 151.31 119.19 0.85 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.45 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 16.7 t80 -68.87 77.09 0.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 110.891 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 29' ' ' GLY . 64.5 m-20 -41.86 -41.55 2.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.6 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.16 109.63 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.2 p -63.79 130.88 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.888 0.375 . . . . 0.0 111.136 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.775 HG11 ' HB2' ' A' ' 37' ' ' ALA . 19.4 t -65.89 157.17 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -103.74 -42.08 5.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.15 159.48 44.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.942 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.17 -51.19 18.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -51.57 -41.88 61.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' HD12 ' A' ' 40' ' ' ILE . 31.1 tt0 -70.57 -33.68 71.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.775 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -65.04 -34.55 78.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' HA ' HG21 ' A' ' 70' ' ' THR . 77.4 t -67.95 -49.92 64.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 -60.69 -47.92 84.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.543 HG21 ' CD2' ' A' ' 27' ' ' PHE . 96.8 mt -63.83 -40.77 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.155 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.569 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -61.35 -47.24 86.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -55.33 -36.94 66.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.835 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -68.29 -39.72 81.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.557 HD11 ' HB3' ' A' ' 27' ' ' PHE . 39.0 mt -68.04 -33.78 63.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.73 111.89 3.17 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.491 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' CD1' HG22 ' A' ' 48' ' ' VAL . 87.9 m-85 -68.43 153.69 95.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.907 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.79 154.62 93.42 Favored 'Cis proline' 0 C--N 1.342 0.185 0 C-N-CA 122.628 -1.822 . . . . 0.0 112.353 -0.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.569 HG21 ' HB1' ' A' ' 41' ' ' ALA . 29.4 m -122.98 123.05 67.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.509 ' HA ' HG23 ' A' ' 63' ' ' ILE . 47.8 ttm -79.89 130.12 35.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 46.9 mt -117.65 114.83 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.24 169.44 9.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.656 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -87.88 114.5 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.062 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.421 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 2.6 t -45.85 -39.58 8.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.831 -179.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.697 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . . . -79.07 55.53 1.82 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.117 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 57' ' ' GLY . . . 113.51 43.24 0.83 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -46.23 90.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.459 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 55' ' ' GLY . . . -108.13 131.48 10.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -43.66 -26.84 0.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -96.9 153.55 17.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.794 0.33 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 81.1 -50.14 4.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.447 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 61' ' ' MET . 3.4 ppp? -53.56 -174.49 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 0.0 110.895 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.446 ' O ' ' HE1' ' A' ' 61' ' ' MET . 15.3 ttm-85 -141.92 157.51 44.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.509 HG23 ' HA ' ' A' ' 49' ' ' MET . 50.2 mt -122.24 143.85 33.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.96 149.23 41.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.105 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.534 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.5 m95 -115.31 -29.41 6.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -135.26 167.34 21.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.49 -56.4 7.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.99 -37.81 21.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -73.35 -42.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.474 HG21 ' HA ' ' A' ' 38' ' ' VAL . 58.8 m -50.49 -53.02 33.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.423 ' HE ' HG21 ' A' ' 38' ' ' VAL . 98.2 mtt180 -60.19 -58.36 8.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.834 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -50.56 -36.95 36.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.79 -36.37 32.98 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.611 ' CD2' HD12 ' A' ' 90' ' ' LEU . 26.7 t80 -66.6 -39.94 88.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 0.0 110.895 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.4 mtp85 -62.79 -49.46 74.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 8.8 mt -71.53 -62.08 1.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.1 m -46.67 -21.95 0.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.9 m -76.57 -61.27 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -50.49 -30.55 13.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.41 -60.79 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.656 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -57.68 -27.06 62.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.43 -41.32 98.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 84' ' ' SER . 13.6 t -102.83 -56.32 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 45.9 t -35.11 -48.24 0.42 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 90.6 m-85 -115.66 -50.62 2.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 142.07 -19.79 2.5 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.697 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 0.8 OUTLIER -113.86 136.93 52.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -84.23 -11.53 56.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.421 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 35.7 mtt85 -43.5 116.6 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.611 HD12 ' CD2' ' A' ' 74' ' ' PHE . 11.8 mt -100.23 173.95 6.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 50.2 mt -140.72 161.76 37.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.491 HG22 HD12 ' A' ' 44' ' ' ILE . 38.3 mt -143.63 126.24 12.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.122 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -138.54 142.41 39.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -56.48 129.72 41.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.453 ' CE2' HD13 ' A' ' 63' ' ' ILE . 18.9 t80 -105.97 121.46 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.85 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 98' ' ' ASN . 15.2 mt -129.63 104.36 10.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.085 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -53.66 -60.16 3.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.42 ' O ' HG22 ' A' ' 96' ' ' ILE . 1.9 p-10 -70.2 143.78 91.55 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.652 0.739 . . . . 0.0 110.884 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -2.89 10.98 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.86 142.45 29.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -54.58 -72.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.32 93.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 30.4 t -41.29 -53.96 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 136.75 77.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 111.78 2.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.718 2.279 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.7 p -65.19 -43.38 91.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.6 t 66.93 42.2 2.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -165.34 150.23 9.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -174.94 149.83 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.06 142.3 8.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -169.98 121.1 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.911 0.386 . . . . 0.0 110.855 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.7 t -109.53 -61.54 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.61 83.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -119.33 122.68 42.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.823 0.344 . . . . 0.0 110.903 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -173.49 147.38 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 21.0 tt -173.1 140.06 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -174.15 152.61 1.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 39.2 t -162.01 117.61 1.99 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -154.75 175.68 13.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 mt -131.18 41.07 3.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.0 tp -159.82 115.13 2.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -118.3 115.93 25.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -105.09 102.09 11.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -72.34 -12.25 61.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -124.46 103.17 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.077 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -115.16 137.18 52.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.6 t -116.55 112.39 39.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.116 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' O ' HG23 ' A' ' 23' ' ' THR . 7.9 p30 -119.35 57.83 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 22' ' ' ASN . 20.8 p -155.77 120.87 4.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.137 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.4 mt -97.7 127.23 38.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -3.87 12.86 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -163.06 -159.27 10.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CE2' HD13 ' A' ' 40' ' ' ILE . 35.4 t80 -170.85 136.6 1.17 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.88 0.372 . . . . 0.0 110.867 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -114.97 -31.47 6.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.548 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -41.22 101.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.6 p -52.95 133.09 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 111.149 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 32' ' ' LYS . 11.5 t -66.97 164.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.545 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.2 mmpt? -112.37 -34.81 5.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.451 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 2.3 m-20 -162.44 164.34 27.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.574 ' HB1' ' HG2' ' A' ' 71' ' ' ARG . . . -44.92 -51.27 9.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.108 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -49.04 -52.86 22.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -60.06 -40.21 88.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.832 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.535 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -56.73 -35.72 68.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.434 ' HA ' HG21 ' A' ' 70' ' ' THR . 76.1 t -72.48 -46.95 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.1 mtm105 -58.76 -52.91 63.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.599 HD13 ' CE2' ' A' ' 27' ' ' PHE . 75.2 mt -60.54 -47.24 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.641 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -54.21 -53.86 47.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.111 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.3 mtp180 -49.97 -40.05 42.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.829 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -64.0 -42.73 97.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 54.2 mt -65.5 -39.67 85.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.117 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.17 102.74 2.72 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.522 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 88.4 m-85 -56.14 153.93 16.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.944 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.3 Cg_endo -69.82 158.76 90.84 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.334 -0.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.641 HG21 ' HB1' ' A' ' 41' ' ' ALA . 26.8 m -132.62 124.17 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.672 ' HA ' HG23 ' A' ' 63' ' ' ILE . 25.7 ttm -83.29 135.01 34.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.1 mt -117.19 119.35 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.96 175.7 5.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.606 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -95.42 118.22 31.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.13 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -53.23 -32.87 50.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.838 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.89 99.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -165.51 71.63 0.18 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -55.66 -100.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.506 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.33 -64.04 2.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 59' ' ' LYS . . . 143.85 -100.57 0.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 58' ' ' GLY . 20.4 mmtp -37.02 103.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 137.48 -42.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.496 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -70.02 -175.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.309 . . . . 0.0 110.91 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.492 ' N ' ' SD ' ' A' ' 61' ' ' MET . 32.0 ttt180 -130.66 152.91 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.672 HG23 ' HA ' ' A' ' 49' ' ' MET . 19.7 mt -114.35 148.18 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.95 152.32 36.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.113 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.503 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 54.6 m95 -120.38 -15.28 8.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 0.4 OUTLIER -151.75 168.56 24.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -48.47 -45.36 36.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.68 -47.54 76.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -70.36 -33.99 72.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.434 HG21 ' HA ' ' A' ' 38' ' ' VAL . 53.9 m -56.63 -56.35 22.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.574 ' HG2' ' HB1' ' A' ' 34' ' ' ALA . 57.1 mtt-85 -61.86 -54.93 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -50.45 -46.23 56.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -73.92 -28.21 65.2 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.513 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.531 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.9 t80 -72.28 -39.04 68.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 45.7 mtp85 -64.09 -45.31 89.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 29.2 mt -71.42 -56.98 4.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.444 ' O ' HD21 ' A' ' 90' ' ' LEU . 47.2 m -49.65 -20.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.9 m -76.66 -53.25 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -59.11 -28.33 66.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.8 mm-40 -68.07 -62.09 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.606 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.6 -41.92 22.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 86' ' ' GLY . . . -62.29 -73.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 t -47.37 -35.79 8.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -67.09 -74.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.781 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -98.69 -44.71 6.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . 140.08 -43.45 1.13 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.59 116.58 17.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -74.03 2.97 7.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -52.81 126.67 20.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.531 HD12 ' CD2' ' A' ' 74' ' ' PHE . 26.9 mt -108.74 177.07 4.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.5 mt -143.97 160.3 41.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.9 mt -141.7 126.75 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.129 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -136.65 152.78 50.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -62.85 133.37 54.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CE1' HD13 ' A' ' 63' ' ' ILE . 55.9 t80 -108.79 111.88 23.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -122.24 107.85 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -95.97 -30.98 13.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.431 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 4.7 t-20 -95.51 140.06 22.21 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 53.6 Cg_endo -69.81 -2.68 10.61 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.695 2.263 . . . . 0.0 112.358 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 5.5 tpt85 -107.64 101.87 11.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -42.17 141.3 0.94 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 5.4 mp -87.17 -53.3 10.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 16.9 m -38.12 106.7 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.844 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -149.06 83.2 0.18 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 168.02 22.73 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.3 p -152.17 120.37 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.5 t -106.88 132.43 52.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -86.83 172.8 9.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.893 0.378 . . . . 0.0 110.828 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -120.24 -58.17 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.39 -136.44 8.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.534 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 6' ' ' SER . 37.1 p -112.46 176.03 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.846 0.355 . . . . 0.0 110.865 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 5' ' ' SER . 26.9 m -36.03 -62.68 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.07 41.94 1.73 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.514 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.417 ' O ' ' CG ' ' A' ' 8' ' ' ASP . 3.9 p-10 -167.8 110.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.915 0.388 . . . . 0.0 110.864 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.8 127.14 46.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 12.1 mm -80.62 116.99 25.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -170.5 166.07 8.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.3 t 52.57 43.15 31.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -54.58 118.57 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.2 tp -91.36 105.31 17.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 mt 44.85 40.05 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.961 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -77.97 80.32 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.102 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -121.31 152.52 38.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.961 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -107.69 138.24 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.03 132.0 56.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -83.36 157.85 22.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.13 152.47 7.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -82.5 -62.46 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.8 t -168.42 177.34 5.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.13 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.596 HG22 ' H ' ' A' ' 26' ' ' GLY . 9.1 mt -92.58 121.99 65.13 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.663 0.744 . . . . 0.0 111.118 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 -3.43 11.92 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.695 2.263 . . . . 0.0 112.353 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.596 ' H ' HG22 ' A' ' 24' ' ' ILE . . . 162.68 109.58 0.24 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 39.0 t80 -59.78 89.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.916 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.481 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 21.8 m-20 -61.38 -41.66 97.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.811 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.599 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.18 109.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.494 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 90' ' ' LEU . 7.5 p -62.61 136.1 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 0.0 111.1 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 37' ' ' ALA . 8.6 t -71.39 160.44 5.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' N ' HG12 ' A' ' 31' ' ' VAL . 7.5 mmtp -112.26 -44.45 3.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -141.38 161.83 36.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.412 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -52.65 -47.41 67.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -54.41 -42.28 70.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' ' CD1' ' A' ' 40' ' ' ILE . 37.5 tt0 -68.53 -36.42 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -64.25 -36.63 84.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.586 ' HA ' HG21 ' A' ' 70' ' ' THR . 99.0 t -67.44 -51.6 50.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -57.49 -49.22 77.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.597 HG21 ' CD2' ' A' ' 27' ' ' PHE . 69.9 mt -59.17 -52.44 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.784 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -50.83 -47.68 60.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.103 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.7 mtp-105 -54.62 -36.56 64.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -67.42 -40.72 85.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.535 HD11 ' HB3' ' A' ' 27' ' ' PHE . 51.5 mt -66.9 -37.97 80.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.96 102.23 2.72 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.443 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.549 ' HA ' HG13 ' A' ' 48' ' ' VAL . 80.4 m-85 -58.67 153.9 38.58 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.665 0.745 . . . . 0.0 110.912 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.8 Cg_endo -69.76 155.26 93.33 Favored 'Cis proline' 0 C--O 1.232 0.195 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.359 -0.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.784 HG21 ' HB1' ' A' ' 41' ' ' ALA . 17.7 m -129.82 125.61 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 9.3 ttm -84.12 148.66 26.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.474 HG23 ' O ' ' A' ' 91' ' ' LEU . 56.4 mt -128.91 113.43 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 165.68 11.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -86.61 112.54 21.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.117 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.4 t -42.17 -44.94 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.467 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . -49.95 -54.82 17.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.097 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -151.93 62.62 0.39 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.473 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -69.07 -106.0 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.516 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 51.77 45.74 54.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.492 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 56.73 66.39 2.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.0 86.14 2.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.51 41.78 9.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.461 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -84.03 -175.35 5.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.775 0.322 . . . . 0.0 110.871 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' N ' ' HG2' ' A' ' 61' ' ' MET . 20.0 ttt180 -120.74 151.46 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.593 HD13 ' CE2' ' A' ' 95' ' ' PHE . 21.9 mt -122.83 142.03 40.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.117 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.74 151.66 35.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.105 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . . . . . . . . . 59.0 m95 -117.59 -11.51 10.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -152.41 158.39 42.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -39.27 -55.8 1.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 12.4 pt-20 -45.74 -48.27 15.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 23.0 mt-10 -66.54 -41.94 87.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.586 HG21 ' HA ' ' A' ' 38' ' ' VAL . 62.3 m -54.63 -41.41 70.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.17 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -70.83 -55.67 8.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.16 -40.63 64.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.408 ' CA ' HH11 ' A' ' 62' ' ' ARG . . . -73.89 -35.33 54.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.458 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.548 ' CD1' HD12 ' A' ' 90' ' ' LEU . 50.4 t80 -64.26 -41.26 97.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.896 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -64.89 -47.52 77.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 30.5 mt -66.86 -56.73 9.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.5 m -52.5 -46.77 66.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.1 p -56.55 -43.17 79.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -63.19 -36.83 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 84' ' ' SER . 51.2 mm-40 -67.0 -61.77 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.464 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -47.33 -31.45 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.415 ' O ' ' CA ' ' A' ' 86' ' ' GLY . . . -58.58 -69.03 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 84' ' ' SER . 19.6 m -79.79 -49.76 11.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 83' ' ' SER . 8.6 t -36.12 -64.07 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.875 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 84.4 m-85 -100.94 -52.37 3.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 82' ' ' ALA . . . 150.26 -17.54 1.03 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.494 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.448 ' O ' ' HB1' ' A' ' 81' ' ' ALA . 4.4 m-20 -121.33 135.28 55.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -78.23 -9.71 59.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 44.3 mtt85 -45.46 134.98 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.552 ' O ' HG23 ' A' ' 30' ' ' VAL . 10.4 mt -120.23 170.22 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 28' ' ' ASP . 17.1 mt -135.62 166.55 22.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 31' ' ' VAL . 41.7 mt -146.7 116.75 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -125.77 155.03 41.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.0 tptm -69.06 134.36 49.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.593 ' CE2' HD13 ' A' ' 63' ' ' ILE . 9.0 t80 -108.12 113.29 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.897 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.0 mt -124.42 112.97 34.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.133 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -79.18 -69.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 100' ' ' ARG . 13.1 p-10 -54.98 149.57 23.18 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.588 0.709 . . . . 0.0 110.89 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -1.28 8.26 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.655 2.236 . . . . 0.0 112.36 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.427 ' O ' ' ND2' ' A' ' 98' ' ' ASN . 5.8 mmt85 -123.16 159.95 27.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -65.23 179.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 68.8 mt -107.44 -64.34 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.144 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 t 65.13 41.32 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.38 83.34 0.35 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 138.61 38.12 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.223 . . . . 0.0 112.379 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.7 m -101.78 -178.21 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.1 m -41.11 158.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.9 p -112.75 172.2 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 p -164.54 162.01 21.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.96 -138.44 2.97 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 t -161.02 140.01 10.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -155.4 116.77 3.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.41 112.74 0.39 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -155.24 160.52 40.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.6 mmmm -115.52 118.84 34.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 33.5 mt -101.25 -49.46 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -67.99 174.25 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 t 72.72 40.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.7 mtpp -107.74 57.81 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 24.7 mt -92.21 112.45 24.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -171.8 138.4 1.08 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.51 89.04 2.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -139.99 113.03 8.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' NZ ' ' HA ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -143.32 120.28 11.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 179.907 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.05 112.66 21.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -101.17 147.02 26.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.455 HG22 ' N ' ' A' ' 22' ' ' ASN . 8.3 p -94.82 158.99 2.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.164 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.455 ' N ' HG22 ' A' ' 21' ' ' VAL . 55.3 m-80 -43.37 147.87 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.5 p -118.88 159.27 24.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.899 HG22 ' H ' ' A' ' 26' ' ' GLY . 83.1 mt -100.17 123.9 45.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.6 0.714 . . . . 0.0 111.104 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.95 3.97 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.69 2.26 . . . . 0.0 112.34 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.899 ' H ' HG22 ' A' ' 24' ' ' ILE . . . 136.96 127.8 2.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.684 ' CE2' HG21 ' A' ' 40' ' ' ILE . 70.8 t80 -112.71 114.83 27.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 110.856 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 29' ' ' GLY . 18.4 p-10 -92.99 -33.91 13.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.586 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -34.33 105.12 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.508 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.4 p -54.4 135.75 16.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.889 0.376 . . . . 0.0 111.1 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.876 HG11 ' HB2' ' A' ' 37' ' ' ALA . 17.0 t -74.34 147.84 8.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -97.24 -39.1 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.92 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.45 172.75 14.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.7 -47.77 81.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -52.24 -54.42 31.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -58.71 -31.33 68.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.876 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -67.62 -32.1 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.62 HG12 ' HD2' ' A' ' 42' ' ' ARG . 69.9 t -72.7 -48.19 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -58.48 -54.9 41.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.819 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.684 HG21 ' CE2' ' A' ' 27' ' ' PHE . 61.5 mt -55.9 -53.89 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.169 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.613 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.01 -45.68 61.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.087 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.62 ' HD2' HG12 ' A' ' 38' ' ' VAL . 22.8 mtt180 -56.4 -32.24 64.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -73.47 -40.87 63.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.66 HD11 ' HB3' ' A' ' 27' ' ' PHE . 15.7 mt -61.58 -39.08 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 98.23 92.87 1.97 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.531 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 96.4 m-85 -43.82 153.17 0.42 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.645 0.736 . . . . 0.0 110.9 -179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.4 Cg_endo -69.74 158.58 90.78 Favored 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.351 -0.128 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.613 HG21 ' HB1' ' A' ' 41' ' ' ALA . 27.0 m -134.01 123.62 44.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.093 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.434 ' HA ' HG23 ' A' ' 63' ' ' ILE . 40.4 ttm -83.11 133.69 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 51.1 mt -115.34 113.65 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.168 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.17 168.69 9.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.584 ' HA ' HD23 ' A' ' 90' ' ' LEU . . . -90.49 112.03 23.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.089 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.413 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.4 t -47.87 -40.76 22.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.898 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -45.75 -46.05 14.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.552 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -133.21 -61.49 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.41 -160.47 36.19 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.465 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 112.75 -38.97 3.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 106.47 51.64 0.8 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.25 -53.01 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -137.55 45.83 1.04 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.485 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.483 ' SD ' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -101.45 179.01 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.492 HH11 HD12 ' A' ' 76' ' ' LEU . 14.0 ttt180 -126.04 156.46 39.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.874 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.631 HD13 ' CE2' ' A' ' 95' ' ' PHE . 36.0 mt -118.51 147.13 22.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -119.86 147.76 44.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.492 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.6 m95 -119.63 -14.12 9.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -148.6 169.86 19.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.899 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -52.35 -50.91 61.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -53.41 -42.07 66.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -70.86 -37.44 73.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.504 HG21 ' HA ' ' A' ' 38' ' ' VAL . 25.0 m -54.99 -56.74 16.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.153 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.5 mtt-85 -59.11 -58.54 8.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.0 -47.82 21.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -69.92 -37.02 74.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.493 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.528 ' CD2' HD12 ' A' ' 90' ' ' LEU . 23.8 t80 -63.65 -44.38 93.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.912 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.8 mtp85 -61.72 -42.6 99.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.845 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.492 HD12 HH11 ' A' ' 62' ' ' ARG . 30.0 mt -73.09 -60.93 2.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 8.4 m -46.99 -32.09 3.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.2 m -66.51 -51.74 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.824 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -55.21 -33.11 62.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -63.59 -63.81 1.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.496 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -49.05 -42.05 37.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.88 -32.55 14.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.8 t -96.28 -45.28 6.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 t -46.44 -64.78 0.68 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.552 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 70.7 m-85 -105.89 -45.63 4.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.85 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 148.15 -31.12 1.31 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -96.49 157.2 16.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.784 0.326 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.67 27.44 6.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.401 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 12.9 mmt180 -67.79 147.85 52.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 52' ' ' ALA . 43.4 mt -136.38 175.33 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' CD1' ' HA ' ' A' ' 53' ' ' SER . 77.2 mt -144.67 162.25 37.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.475 HG22 HD12 ' A' ' 44' ' ' ILE . 21.4 mt -140.64 119.87 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -135.3 141.12 45.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -50.01 128.04 17.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.631 ' CE2' HD13 ' A' ' 63' ' ' ILE . 32.6 t80 -94.14 106.69 18.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.1 mt -121.07 98.08 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.431 ' CG ' ' O ' ' A' ' 97' ' ' ASP . 26.9 t70 -83.81 35.3 0.51 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -158.35 157.84 29.25 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.61 0.719 . . . . 0.0 110.899 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -3.47 12.1 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.37 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -44.89 147.58 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -147.5 146.62 29.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 10.3 tt -104.57 152.49 6.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -128.69 162.65 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 104.86 82.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -22.55 31.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.686 2.257 . . . . 0.0 112.342 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.0 t -46.3 151.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.4 t -154.41 138.87 16.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -170.25 160.85 8.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -172.09 166.81 6.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.0 -170.53 18.75 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.532 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.0 p -170.9 150.15 3.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.877 0.37 . . . . 0.0 110.888 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.3 m -160.0 162.64 34.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.7 100.52 0.19 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -150.92 165.57 33.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -132.14 127.5 36.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 16.9 tt -164.33 140.46 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -56.49 106.57 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 73.2 p -133.68 -177.78 4.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.0 mttt 50.86 54.42 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.79 4.3 10.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.4 mt -97.88 115.23 27.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -127.29 95.98 4.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.098 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -168.77 129.44 1.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.885 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.3 ttpt -169.62 109.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -134.05 92.15 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.068 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -136.79 143.33 43.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.832 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.476 HG13 ' N ' ' A' ' 22' ' ' ASN . 7.5 p -87.08 -43.23 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.476 ' N ' HG13 ' A' ' 21' ' ' VAL . 36.1 p-10 -88.45 120.44 29.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 t -155.09 174.89 14.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.1 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.8 mt -120.76 128.52 25.74 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.649 0.738 . . . . 0.0 111.133 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 -4.24 13.62 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.257 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -176.04 -155.82 13.85 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.584 ' CE2' ' O ' ' A' ' 29' ' ' GLY . 51.5 t80 -173.36 127.77 0.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 29' ' ' GLY . 20.4 m-20 -106.18 -43.9 4.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.584 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.09 98.96 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.489 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 89' ' ' ARG . 2.7 p -48.45 142.03 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 111.107 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.726 HG11 ' HB2' ' A' ' 37' ' ' ALA . 17.0 t -71.1 156.91 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' N ' HG12 ' A' ' 31' ' ' VAL . 8.9 mmpt? -104.18 -45.33 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -152.39 156.42 39.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.44 ' N ' ' CE1' ' A' ' 74' ' ' PHE . . . -38.81 -48.45 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -54.18 -50.81 66.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -59.84 -34.41 73.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.726 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.92 -34.78 78.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.123 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.1 t -68.56 -46.78 79.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 42.4 mtt180 -58.48 -56.68 19.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.456 HG21 ' CD2' ' A' ' 27' ' ' PHE . 29.3 mt -50.82 -52.44 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -48.09 -58.19 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -45.56 -46.9 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -56.29 -43.99 79.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.3 mt -68.35 -40.69 82.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 104.01 106.83 3.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.464 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.545 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 95.4 m-85 -58.11 152.77 38.82 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.725 0.774 . . . . 0.0 110.948 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.9 Cg_endo -69.77 158.68 90.77 Favored 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.658 -1.809 . . . . 0.0 112.387 -0.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 41' ' ' ALA . 29.5 m -132.23 126.66 56.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.118 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.0 ttm -88.05 140.14 29.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 91' ' ' LEU . 38.9 mt -120.92 134.13 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LEU . 9.6 mtmt -133.36 155.33 49.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.682 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -78.71 110.74 14.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 89' ' ' ARG . 1.3 t -46.0 -37.33 6.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.69 -34.02 76.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.526 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -163.38 62.2 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -59.68 147.28 43.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.521 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 58' ' ' GLY . . . -163.76 102.05 0.2 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 57' ' ' GLY . . . -34.84 -40.96 0.23 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.502 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.8 mmmt -90.22 100.72 13.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.784 0.326 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.06 -45.69 1.12 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.543 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.26 -174.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.735 0.303 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.3 ttt180 -123.3 156.01 36.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.771 HD13 ' CD2' ' A' ' 95' ' ' PHE . 65.1 mt -120.29 146.73 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.83 146.81 44.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.494 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 56.6 m95 -114.73 -22.39 9.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 m-20 -140.27 165.8 26.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -45.69 -54.99 6.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.46 ' N ' HH21 ' A' ' 71' ' ' ARG . 7.4 pt-20 -50.36 -43.55 54.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -64.84 -42.6 94.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.9 m -57.02 -48.96 77.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.46 HH21 ' N ' ' A' ' 68' ' ' GLU . 54.6 mtm180 -63.97 -48.74 75.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.94 -44.95 83.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -74.74 -31.78 57.96 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.519 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.58 ' CD2' HD12 ' A' ' 90' ' ' LEU . 25.0 t80 -64.06 -38.47 91.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HB3' ' NH1' ' A' ' 75' ' ' ARG . 15.3 mtp-105 -63.1 -49.84 72.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.05 -55.02 10.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.592 ' O ' HD21 ' A' ' 90' ' ' LEU . 8.2 t -51.81 -28.14 14.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 21.8 t -81.01 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -44.44 -28.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -69.36 -66.82 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.824 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.682 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -46.72 -38.81 10.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.11 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.05 -62.3 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 84' ' ' SER . 25.6 p -73.96 -49.47 24.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' SER . 11.0 m -37.11 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.526 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 75.6 m-85 -95.15 -52.52 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.38 -31.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -102.37 161.47 13.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 110.854 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.29 18.04 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.414 ' HB3' HG21 ' A' ' 30' ' ' VAL . 85.3 mtt-85 -62.88 118.92 8.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.592 HD21 ' O ' ' A' ' 77' ' ' SER . 16.2 mt -104.89 174.78 5.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 51' ' ' LYS . 30.2 mt -141.28 162.85 34.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.1 mt -141.08 133.83 30.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -140.93 162.58 35.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.9 tptm -77.03 130.8 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.771 ' CD2' HD13 ' A' ' 63' ' ' ILE . 11.1 t80 -105.26 119.93 40.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.907 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.9 mt -130.35 111.25 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.097 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.6 -57.63 3.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.407 ' ND2' ' H ' ' A' ' 98' ' ' ASN . 0.8 OUTLIER -66.87 153.66 93.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.631 0.729 . . . . 0.0 110.898 -179.897 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -3.61 12.38 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.302 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 4.8 tpt180 62.85 48.14 4.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -62.84 -43.15 99.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.802 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.0 mm -71.27 111.32 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.113 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.2 m -125.59 110.49 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -95.75 146.68 18.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.453 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.0 12.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.646 2.23 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t -77.78 152.07 33.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.8 p -170.93 115.53 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.246 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.488 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -168.06 166.39 13.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 p -173.74 171.24 3.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.845 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.33 173.32 44.81 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -152.49 138.21 17.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.899 0.38 . . . . 0.0 110.816 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.9 p -174.54 145.76 0.97 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.848 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.96 147.11 13.37 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.466 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -163.26 149.05 11.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.7 pttt -161.54 112.5 1.7 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' O ' HG23 ' A' ' 10' ' ' ILE . 7.5 tp -151.09 122.76 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.135 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -162.45 138.89 7.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.9 t -150.42 108.79 3.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -117.55 123.54 46.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.956 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mt -114.16 81.01 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' C ' HD12 ' A' ' 15' ' ' LEU . 2.8 pp -155.16 161.51 41.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -123.34 96.58 5.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.103 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.7 tttt -168.35 127.37 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.848 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -140.36 167.38 22.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.77 156.96 22.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -63.77 144.64 56.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.855 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 m -114.32 155.74 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -109.02 38.94 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.4 t -115.26 -175.14 2.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.473 HG22 ' H ' ' A' ' 26' ' ' GLY . 5.4 mt -74.05 130.83 82.13 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.733 . . . . 0.0 111.101 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 5.47 1.69 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.473 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -165.2 -162.9 17.31 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.965 ' CE2' HG21 ' A' ' 40' ' ' ILE . 85.5 t80 -173.8 132.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 0.0 110.86 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 29' ' ' GLY . 68.3 m-20 -115.6 -33.45 5.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.556 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -35.22 102.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 p -55.74 129.76 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.815 HG11 ' HB2' ' A' ' 37' ' ' ALA . 3.8 t -70.63 157.23 6.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -128.98 -35.62 1.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -140.5 144.94 36.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.587 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -43.76 -41.65 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.093 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -58.22 -39.42 79.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.483 ' HG3' ' CD1' ' A' ' 40' ' ' ILE . 3.5 tp10 -72.42 -32.97 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.815 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -65.36 -37.67 87.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.438 ' HA ' HG21 ' A' ' 70' ' ' THR . 51.9 t -67.36 -51.04 56.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -53.43 -54.13 41.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.965 HG21 ' CE2' ' A' ' 27' ' ' PHE . 28.0 mt -57.16 -46.65 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.474 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -57.37 -60.76 3.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.414 ' HD2' HG12 ' A' ' 38' ' ' VAL . 55.9 mtp180 -42.41 -36.32 1.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -68.91 -51.23 42.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.6 mt -58.9 -39.0 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.114 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 102.39 113.44 3.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.517 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.558 ' HA ' HG13 ' A' ' 48' ' ' VAL . 88.6 m-85 -66.15 153.58 91.81 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.676 0.751 . . . . 0.0 110.906 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.544 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.7 Cg_endo -69.77 155.14 93.42 Favored 'Cis proline' 0 C--N 1.341 0.159 0 C-N-CA 122.681 -1.8 . . . . 0.0 112.346 -0.055 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.558 HG13 ' HA ' ' A' ' 46' ' ' TYR . 15.6 m -130.1 126.55 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.43 ' HA ' HG23 ' A' ' 63' ' ' ILE . 3.3 ttm -84.02 146.01 28.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 25.4 mt -127.37 120.6 55.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.141 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -114.47 175.99 5.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.77 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -102.49 98.25 8.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.089 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 3.2 t -37.01 -29.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 85' ' ' PHE . . . -90.69 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.071 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.456 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . 130.12 46.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.47 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.1 -104.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 85.41 -40.13 3.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.6 48.56 7.18 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.505 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -109.54 -44.48 3.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.824 0.345 . . . . 0.0 110.917 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -133.05 19.94 4.31 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.48 -175.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.78 0.324 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.426 ' NH2' ' O ' ' A' ' 63' ' ' ILE . 6.3 ttp85 -119.47 154.33 33.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.496 HD13 ' CE2' ' A' ' 95' ' ' PHE . 38.7 mt -126.75 142.01 44.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.156 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.56 156.7 26.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.451 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 53.0 m95 -122.46 -20.06 6.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -143.72 162.04 37.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -43.33 -50.66 6.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -52.26 -46.51 65.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.406 ' HB3' ' NH2' ' A' ' 62' ' ' ARG . 30.9 mt-10 -66.17 -41.37 90.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 38' ' ' VAL . 95.4 m -51.57 -54.02 31.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 37.4 mtt180 -62.08 -58.59 7.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -45.18 -40.32 7.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -78.19 -38.02 27.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.471 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.636 ' CD1' HD12 ' A' ' 90' ' ' LEU . 56.0 t80 -60.29 -31.11 69.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.822 0.344 . . . . 0.0 110.885 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' NE2' ' A' ' 79' ' ' GLN . 22.4 mtp85 -73.42 -44.81 57.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 34.5 mt -70.37 -64.88 0.81 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.2 m -47.2 -23.08 0.46 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 26.1 t -77.58 -48.04 17.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' ARG . 24.4 mt-30 -60.21 -31.01 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -69.52 -64.99 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.77 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -52.99 -37.49 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.087 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.3 -22.29 65.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.087 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 84' ' ' SER . 4.6 t -109.31 -66.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.861 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 83' ' ' SER . 3.8 p -34.67 -40.06 0.1 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.516 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 10.5 m-85 -121.77 -51.01 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 144.57 -40.69 1.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -89.38 145.47 25.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.791 0.329 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -97.18 8.56 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.468 ' CB ' ' HB3' ' A' ' 53' ' ' SER . 58.7 mtt85 -53.71 116.86 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.847 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.636 HD12 ' CD1' ' A' ' 74' ' ' PHE . 27.7 mt -109.33 161.25 15.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 57.7 mt -131.06 161.52 31.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.9 mt -143.15 130.26 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.082 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -137.21 156.59 48.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.1 tptm -64.16 134.11 54.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' A' ' 63' ' ' ILE . 22.8 t80 -109.38 118.65 37.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.862 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.7 mt -130.65 120.94 49.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -103.21 -38.83 7.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.427 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 3.4 t-20 -90.78 140.17 26.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.639 0.733 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 53.2 Cg_endo -69.78 174.89 8.87 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.705 2.27 . . . . 0.0 112.348 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.445 ' NE ' ' O ' ' A' ' 100' ' ' ARG . 0.0 OUTLIER -155.42 171.23 20.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -119.71 145.16 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.695 ' H ' HD12 ' A' ' 102' ' ' ILE . 5.0 mp -67.93 137.88 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 18.9 m -140.11 176.56 8.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -125.49 83.88 0.35 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 2.74 3.28 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.676 2.251 . . . . 0.0 112.304 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.3 m -77.96 130.11 36.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 34.8 m -155.72 158.92 39.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.477 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.9 m -109.66 149.99 28.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.921 0.391 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.5 p -154.25 170.8 20.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.843 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.18 85.83 0.58 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.531 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.9 t -89.44 86.6 6.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 0.0 110.83 -179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -113.3 139.49 48.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.52 120.66 0.65 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.82 163.59 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -129.84 48.06 2.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.422 ' O ' ' CG1' ' A' ' 10' ' ' ILE . 5.1 tt 39.88 49.41 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.113 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.71 128.34 36.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.6 p -161.23 144.25 12.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.8 mttt -115.38 102.1 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.935 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.538 HD23 HD12 ' A' ' 15' ' ' LEU . 1.8 pt? -78.77 5.82 10.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD12 HD23 ' A' ' 14' ' ' LEU . 9.4 mp -73.45 110.2 7.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.99 132.92 55.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? -147.16 149.99 34.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.0 ptmm? -144.34 120.52 10.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -172.77 120.46 0.38 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -133.19 89.21 2.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.1 m -102.56 149.5 6.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -108.76 89.58 3.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.3 t -118.2 -175.86 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.658 HG22 ' H ' ' A' ' 26' ' ' GLY . 23.9 mt -72.59 125.45 91.26 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 3.32 2.84 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.366 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.658 ' H ' HG22 ' A' ' 24' ' ' ILE . . . 159.01 141.75 3.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CZ ' ' HA3' ' A' ' 29' ' ' GLY . 89.2 t80 -112.71 97.8 6.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 110.888 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -83.77 18.31 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.6 ' O ' HD23 ' A' ' 91' ' ' LEU . . . -78.34 -157.69 10.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.495 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -134.54 144.14 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.161 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.704 HG11 ' HB2' ' A' ' 37' ' ' ALA . 16.1 t -98.85 144.22 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -95.09 -48.2 6.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -145.3 157.67 44.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.913 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.614 ' N ' ' CE2' ' A' ' 74' ' ' PHE . . . -40.61 -48.59 2.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -48.33 -55.59 10.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.403 ' HG3' HD11 ' A' ' 40' ' ' ILE . 4.1 tp10 -56.45 -39.86 73.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.704 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -55.7 -38.77 70.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 ' HD2' ' A' ' 42' ' ' ARG . 53.1 t -65.01 -52.87 48.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.9 mtp85 -54.69 -52.65 61.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' A' ' 36' ' ' GLU . 47.6 mt -56.61 -46.34 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -58.32 -51.66 68.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.597 ' HD2' HG12 ' A' ' 38' ' ' VAL . 19.6 mtt180 -50.99 -37.72 46.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.62 -41.95 87.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.476 HG22 ' HD3' ' A' ' 94' ' ' LYS . 85.4 mt -67.94 -36.27 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 97.53 98.58 1.99 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.499 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.538 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 82.9 m-85 -48.67 153.72 1.35 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.893 -179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.0 Cg_endo -69.79 163.1 82.79 Favored 'Cis proline' 0 C--O 1.231 0.169 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.375 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.485 HG22 ' CD1' ' A' ' 46' ' ' TYR . 33.7 m -135.49 123.15 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.4 ttm -87.38 135.77 33.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 50.9 mt -116.36 133.43 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.177 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HB2' ' HZ2' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -131.59 158.28 41.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -76.79 118.89 19.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.429 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 1.2 t -49.32 -48.25 46.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.646 ' HB2' ' HB2' ' A' ' 87' ' ' ASP . . . -48.96 -42.48 37.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -155.96 68.95 0.29 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -73.64 -130.34 0.17 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.488 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 104.11 -82.66 0.38 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.46 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 148.22 62.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -115.46 -48.23 2.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -151.59 43.81 0.67 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.485 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.485 ' HE3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -87.19 -176.4 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.734 0.302 . . . . 0.0 110.894 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.453 ' N ' ' HG2' ' A' ' 61' ' ' MET . 11.5 ttm-85 -114.83 157.87 22.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.687 HD13 ' CE2' ' A' ' 95' ' ' PHE . 42.9 mt -130.78 141.89 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.66 151.18 36.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.421 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 63.8 m95 -118.64 -18.42 9.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -148.36 160.51 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.822 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -41.99 -46.06 4.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -53.82 -48.09 70.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -68.2 -48.9 63.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.447 HG21 ' HA ' ' A' ' 38' ' ' VAL . 86.8 m -40.61 -45.35 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -72.36 -47.06 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.06 -50.01 49.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -72.45 -33.34 61.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.733 ' CD1' HD12 ' A' ' 90' ' ' LEU . 72.1 t80 -63.91 -41.76 97.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -60.95 -44.32 97.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mt -77.02 -62.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.428 ' C ' HD21 ' A' ' 90' ' ' LEU . 47.0 m -44.0 -26.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.847 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 t -70.72 -59.09 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -57.78 -36.72 72.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -57.66 -54.98 40.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.97 -35.99 62.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.02 -58.94 3.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.5 t -68.12 -12.34 60.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 44.4 m -88.54 -60.4 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -118.13 -43.79 2.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 136.67 -23.7 3.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.522 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.646 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 2.4 m-20 -88.87 96.26 10.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 89' ' ' ARG . 10.0 p-10 -55.48 -23.87 28.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 88' ' ' ASP . 27.1 mtm180 -36.2 152.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.733 HD12 ' CD1' ' A' ' 74' ' ' PHE . 17.4 mt -131.57 172.32 12.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 29' ' ' GLY . 79.7 mt -137.12 158.85 43.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mt -141.34 128.69 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -132.83 162.85 30.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.856 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.476 ' HD3' HG22 ' A' ' 44' ' ' ILE . 28.0 tptt -75.77 128.4 35.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.687 ' CE2' HD13 ' A' ' 63' ' ' ILE . 13.0 t80 -101.01 116.33 32.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 98' ' ' ASN . 13.8 mt -125.91 108.83 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.33 -62.97 1.39 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.582 ' O ' HG22 ' A' ' 96' ' ' ILE . 7.6 p30 -84.26 143.29 41.9 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.587 0.708 . . . . 0.0 110.922 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -3.92 13.0 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.683 2.256 . . . . 0.0 112.304 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.521 ' O ' ' CG ' ' A' ' 101' ' ' HIS . 43.5 ttt85 -40.55 136.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.521 ' CG ' ' O ' ' A' ' 100' ' ' ARG . 25.8 m80 -165.24 116.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.6 mt -132.14 122.69 49.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.084 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.0 t -68.99 159.16 33.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 120.09 83.68 0.8 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 88.23 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 28.5 t -45.83 128.92 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 44.3 t -88.06 132.9 34.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.5 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.8 m -117.56 172.39 7.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.903 0.383 . . . . 0.0 110.869 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.7 t -113.44 -57.21 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.84 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.96 170.63 6.66 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -168.14 168.0 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.869 0.366 . . . . 0.0 110.878 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -172.4 150.82 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.1 178.16 37.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -155.81 141.61 18.03 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.921 0.391 . . . . 0.0 110.866 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.83 134.06 55.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.2 tp -133.84 133.86 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -145.65 154.83 42.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -172.09 121.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -109.14 125.87 52.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.05 18.73 10.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.942 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.56 86.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -165.67 124.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.123 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.3 mttm -138.84 160.09 40.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -114.16 81.61 1.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.935 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -147.78 139.01 23.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -153.94 149.0 26.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 23' ' ' THR . 9.0 p -92.61 153.25 3.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -104.87 31.85 4.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.471 HG23 HG22 ' A' ' 21' ' ' VAL . 61.0 p -97.65 -176.99 3.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.484 HG22 ' H ' ' A' ' 26' ' ' GLY . 7.4 mt -75.58 128.46 83.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.631 0.729 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.27 3.68 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.686 2.258 . . . . 0.0 112.354 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.484 ' H ' HG22 ' A' ' 24' ' ' ILE . . . 163.12 126.23 0.81 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 40' ' ' ILE . 61.4 t80 -87.61 108.38 19.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.361 . . . . 0.0 110.867 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 37.7 p30 -95.56 8.43 43.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.497 ' O ' HD23 ' A' ' 91' ' ' LEU . . . -70.42 -149.41 0.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.72 HG11 ' HD2' ' A' ' 89' ' ' ARG . 57.9 t -145.89 132.67 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.87 HG11 ' HB2' ' A' ' 37' ' ' ALA . 6.9 t -81.04 150.95 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -109.23 -46.59 3.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.927 179.864 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -138.57 161.05 38.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.864 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -47.99 -49.5 30.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -53.96 -43.9 70.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.36 -39.49 94.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.87 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -60.13 -37.35 79.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.641 HG12 ' HD2' ' A' ' 42' ' ' ARG . 52.4 t -64.23 -50.91 74.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 43.8 mtt180 -54.51 -56.21 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.65 HD13 ' CE2' ' A' ' 27' ' ' PHE . 39.1 mt -55.21 -45.17 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.536 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -58.68 -50.59 73.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.641 ' HD2' HG12 ' A' ' 38' ' ' VAL . 40.7 mtp180 -52.41 -37.4 56.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -69.81 -35.34 74.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.429 HD11 ' CB ' ' A' ' 27' ' ' PHE . 51.1 mt -74.23 -28.98 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.16 108.48 1.32 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.521 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.546 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 90.8 m-85 -62.74 153.78 77.5 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.721 0.772 . . . . 0.0 110.892 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.546 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 54.3 Cg_endo -69.72 161.43 86.08 Favored 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.397 -0.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.542 HG22 ' CD1' ' A' ' 46' ' ' TYR . 17.2 m -134.66 127.57 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 28.5 ttm -87.47 130.7 34.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.431 ' O ' ' CG ' ' A' ' 61' ' ' MET . 19.9 mt -113.44 136.74 48.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' CE ' ' OE1' ' A' ' 93' ' ' GLU . 7.1 mtmt -138.0 158.68 43.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.649 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -80.83 106.65 13.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.101 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 t -41.55 -45.04 3.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.426 ' HB1' ' CB ' ' A' ' 85' ' ' PHE . . . -44.77 -40.71 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.553 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -166.58 59.25 0.23 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.515 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -64.49 -124.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.465 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.1 45.13 9.17 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.478 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.93 34.79 7.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.536 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -84.59 76.21 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 54.7 30.91 52.82 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.45 ' HG2' ' N ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -69.33 -176.12 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 61' ' ' MET . 11.4 ttm-85 -115.2 154.96 28.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.574 HD13 ' CZ ' ' A' ' 95' ' ' PHE . 55.6 mt -124.44 144.06 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.076 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -118.7 140.07 50.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.514 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 62.6 m95 -110.59 -17.89 13.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -144.69 158.82 43.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -43.29 -45.28 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -57.29 -43.69 83.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.35 -35.24 77.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 56.6 m -60.46 -48.54 81.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.143 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 34.8 mtt180 -66.8 -43.15 84.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.39 -32.62 72.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.97 -33.04 24.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.519 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.688 ' CD2' HD12 ' A' ' 90' ' ' LEU . 9.6 t80 -66.45 -36.79 83.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.884 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.8 mtt-85 -65.35 -50.01 67.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 28.5 mt -61.57 -65.19 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.3 m -47.19 -27.43 1.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.4 m -72.84 -60.01 2.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -47.13 -39.39 13.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -59.15 -69.83 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.649 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -45.33 -46.18 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 81' ' ' ALA . . . -34.44 -52.26 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 84' ' ' SER . 5.5 m -97.9 -52.15 3.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 -179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 83' ' ' SER . 66.4 m -34.54 -39.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.86 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.553 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 88.4 m-85 -125.9 -47.03 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.917 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 141.66 -21.11 2.54 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -117.91 158.12 25.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 0.0 110.838 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -102.73 26.38 8.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.72 ' HD2' HG11 ' A' ' 30' ' ' VAL . 19.2 mmt180 -71.83 123.25 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.688 HD12 ' CD2' ' A' ' 74' ' ' PHE . 20.1 mt -112.22 175.56 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 29' ' ' GLY . 36.6 mt -142.62 159.94 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.473 ' C ' ' CD ' ' A' ' 93' ' ' GLU . 7.5 mt -140.53 116.32 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.492 ' OE1' ' CE ' ' A' ' 51' ' ' LYS . 7.9 mp0 -126.72 151.1 48.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.0 tptm -55.6 136.37 50.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.878 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CZ ' HD13 ' A' ' 63' ' ' ILE . 36.3 t80 -108.24 119.59 39.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.9 mm -122.3 101.75 10.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.63 -39.34 57.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 44.2 m-20 -73.01 150.96 90.45 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.627 0.727 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -1.15 7.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.671 2.248 . . . . 0.0 112.37 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -62.85 123.87 19.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 0.3 OUTLIER -87.49 55.02 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 103' ' ' SER . 6.6 tp -48.7 -42.59 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.439 ' N ' HG23 ' A' ' 102' ' ' ILE . 41.2 p -101.85 124.26 47.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -129.68 -156.65 8.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 165.26 31.48 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.381 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.0 t -112.88 113.46 25.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.1 t 52.91 44.77 29.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 t -147.22 108.14 4.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.827 0.346 . . . . 0.0 110.848 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.5 p -103.95 144.53 31.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.06 -172.26 48.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.486 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 m 39.05 49.46 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.894 0.378 . . . . 0.0 110.849 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.9 m -80.33 90.98 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.6 74.79 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -121.22 110.18 15.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -112.98 171.86 7.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.7 mt -38.28 -46.14 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.141 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 55.52 45.0 25.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 t -162.79 122.31 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -147.76 139.74 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.45 156.9 16.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.925 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.571 HD21 ' CG ' ' A' ' 17' ' ' LYS . 8.2 tt -85.83 111.72 20.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.934 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -99.15 88.19 3.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.571 ' CG ' HD21 ' A' ' 15' ' ' LEU . 18.1 mmtp -122.18 135.43 54.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -107.89 97.96 7.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -139.74 123.92 17.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -146.78 140.41 25.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.855 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.0 t -114.69 124.93 71.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -110.27 -45.66 3.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.1 t -65.87 -175.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.188 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.763 HG22 ' H ' ' A' ' 26' ' ' GLY . 17.5 mt -61.98 123.83 79.33 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.584 0.706 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 3.27 2.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.699 2.266 . . . . 0.0 112.319 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.763 ' H ' HG22 ' A' ' 24' ' ' ILE . . . -151.08 -168.4 15.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.682 ' CE2' HG21 ' A' ' 40' ' ' ILE . 84.7 t80 -174.94 114.47 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.858 0.361 . . . . 0.0 110.902 -179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -108.81 17.12 22.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.545 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -81.33 89.66 1.4 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.48 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.503 HG11 ' CZ ' ' A' ' 89' ' ' ARG . 75.7 t -35.83 135.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 0.0 111.145 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.78 HG11 ' HB2' ' A' ' 37' ' ' ALA . 3.6 t -81.53 159.35 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -112.08 -37.52 5.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -145.46 175.1 10.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 71' ' ' ARG . . . -62.93 -47.07 84.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.082 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.14 -50.03 70.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -58.09 -38.32 76.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.78 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -63.05 -33.85 76.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -69.57 -47.05 73.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.143 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -60.3 -37.94 82.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.682 HG21 ' CE2' ' A' ' 27' ' ' PHE . 55.0 mt -72.01 -49.97 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.664 ' HB1' HG21 ' A' ' 48' ' ' VAL . . . -51.81 -49.84 61.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.9 mtp-105 -52.81 -38.85 61.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.72 -39.1 84.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.668 HD12 HG22 ' A' ' 92' ' ' ILE . 42.4 mt -70.89 -31.28 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.134 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.32 109.45 1.77 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.552 ' HA ' HG13 ' A' ' 48' ' ' VAL . 89.9 m-85 -62.41 153.37 76.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.701 0.763 . . . . 0.0 110.919 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.545 ' HB3' ' CE3' ' A' ' 65' ' ' TRP . 53.9 Cg_endo -69.76 155.3 93.33 Favored 'Cis proline' 0 C--N 1.342 0.203 0 C-N-CA 122.655 -1.811 . . . . 0.0 112.351 -0.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.664 HG21 ' HB1' ' A' ' 41' ' ' ALA . 20.8 m -130.67 124.96 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.404 ' HA ' HG23 ' A' ' 63' ' ' ILE . 3.3 ttm -84.4 149.59 25.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.7 mt -130.31 116.19 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.9 170.86 7.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.688 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -97.47 102.65 14.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.469 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -38.82 -39.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.813 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.3 -52.86 19.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -156.14 65.94 0.31 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.43 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -41.51 158.47 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -130.79 -65.56 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.57 -30.17 10.25 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.457 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -117.06 34.19 5.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.823 0.344 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.26 -32.69 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.73 -178.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.791 0.329 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 ttt85 -114.33 154.06 28.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.91 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.404 HG23 ' HA ' ' A' ' 49' ' ' MET . 40.0 mt -124.92 144.62 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.159 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -116.84 141.25 48.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.545 ' CE3' ' HB3' ' A' ' 47' ' ' PRO . 74.3 m95 -108.02 -15.85 14.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -153.96 158.99 41.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -37.81 -54.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -47.93 -46.02 31.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.66 -40.21 73.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.9 m -53.73 -55.74 23.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.167 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.436 ' HG2' ' HB1' ' A' ' 34' ' ' ALA . 66.6 mtt180 -62.07 -49.91 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -56.84 -35.23 68.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.56 -30.24 33.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.5 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.553 ' CD2' HD12 ' A' ' 90' ' ' LEU . 4.4 t80 -67.98 -30.31 69.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -74.3 -42.26 59.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.63 -39.32 57.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.2 m -69.96 -26.21 64.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 71.1 p -78.0 -49.66 13.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -57.77 -32.12 67.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -65.53 -68.96 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.688 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -48.63 -43.87 36.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -43.69 -35.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.47 ' O ' ' N ' ' A' ' 85' ' ' PHE . 15.9 t -108.55 -59.51 1.86 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 83' ' ' SER . 10.1 m -35.11 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.47 ' N ' ' O ' ' A' ' 83' ' ' SER . 44.6 m-85 -128.52 -43.9 1.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.51 -36.66 1.82 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -100.93 156.62 17.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -100.98 15.56 28.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.503 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 3.0 mmp_? -58.99 129.0 40.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.553 HD12 ' CD2' ' A' ' 74' ' ' PHE . 11.0 mt -119.13 170.89 8.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.4 mt -141.92 160.47 40.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.668 HG22 HD12 ' A' ' 44' ' ' ILE . 20.6 mt -140.71 121.32 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -130.41 157.28 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -70.68 131.85 44.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -108.15 120.15 41.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.4 mt -135.17 117.4 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.12 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.34 -64.44 0.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.429 ' CG ' ' HD2' ' A' ' 99' ' ' PRO . 2.5 t-20 -81.29 141.16 49.33 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.429 ' HD2' ' CG ' ' A' ' 98' ' ' ASN . 54.2 Cg_endo -69.75 164.86 32.97 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.638 2.225 . . . . 0.0 112.35 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -131.51 128.0 38.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.44 ' ND1' ' N ' ' A' ' 102' ' ' ILE . 32.0 p80 -99.25 -51.87 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.581 HG23 ' N ' ' A' ' 103' ' ' SER . 11.7 tt -37.98 -48.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.581 ' N ' HG23 ' A' ' 102' ' ' ILE . 52.7 p -83.63 -178.45 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 154.25 152.98 6.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.424 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.333 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 82.7 p -132.79 169.77 16.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -64.72 -42.92 94.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.965 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 m -162.7 160.46 25.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p -75.07 173.65 10.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.05 127.2 2.68 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.525 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -169.36 144.44 3.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.897 0.38 . . . . 0.0 110.839 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -73.27 151.56 41.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.05 88.09 0.34 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -148.75 142.89 26.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.88 0.371 . . . . 0.0 110.903 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.61 156.84 46.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.8 mt -103.53 89.07 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -131.34 122.7 26.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 t -160.3 147.54 16.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.868 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.7 mmtt -78.03 98.82 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.955 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -107.33 140.71 39.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 tp -72.69 -53.94 10.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . 43.13 52.32 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.25 135.35 48.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.9 mmtm -104.66 100.03 9.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.73 103.37 7.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.071 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -143.6 147.84 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 21' ' ' VAL . 34.2 m -129.89 45.36 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.098 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.5 52.4 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.3 p -111.06 132.41 54.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 2.1 mt -107.39 130.05 23.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.622 0.725 . . . . 0.0 111.153 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -3.38 11.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.721 2.281 . . . . 0.0 112.329 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -154.99 167.53 32.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.475 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.58 ' CE2' HD13 ' A' ' 40' ' ' ILE . 74.4 t80 -166.06 147.52 6.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 110.871 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 30' ' ' VAL . 56.9 m-20 -132.53 -35.61 1.13 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.541 ' O ' ' CE2' ' A' ' 27' ' ' PHE . . . -37.56 94.85 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.487 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 90' ' ' LEU . 10.8 p -37.59 142.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.891 0.377 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.699 HG11 ' HB2' ' A' ' 37' ' ' ALA . 34.9 t -77.85 156.4 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' N ' HG12 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -102.26 -36.98 8.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 32' ' ' LYS . 2.8 m-20 -157.18 163.89 38.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -48.32 -51.5 25.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.82 -45.15 63.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -65.17 -33.87 77.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.699 ' HB2' HG11 ' A' ' 31' ' ' VAL . . . -67.23 -31.42 71.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.1 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.462 ' HA ' HG21 ' A' ' 70' ' ' THR . 69.3 t -69.43 -46.62 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.15 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 59.3 mtp180 -62.54 -55.54 26.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.58 HD13 ' CE2' ' A' ' 27' ' ' PHE . 74.3 mt -49.89 -45.44 22.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB1' HG11 ' A' ' 48' ' ' VAL . . . -57.76 -55.2 37.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 16.7 mtp85 -50.46 -27.77 7.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -80.57 -29.94 36.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.546 HD12 HG22 ' A' ' 92' ' ' ILE . 46.3 mt -79.73 -32.34 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.82 102.06 2.05 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.487 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.539 ' HA ' ' C ' ' A' ' 47' ' ' PRO . 98.6 m-85 -56.44 152.95 22.04 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.666 0.746 . . . . 0.0 110.902 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 46' ' ' TYR . 53.5 Cg_endo -69.75 159.82 89.03 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.35 -0.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 48' ' ' VAL . 34.3 m -130.04 122.72 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.135 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.452 ' HA ' HG23 ' A' ' 63' ' ' ILE . 23.9 ttm -85.27 128.89 34.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 38.3 mt -114.94 139.41 41.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.123 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 91' ' ' LEU . 12.4 mtmm -142.6 171.8 13.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 81' ' ' ALA . . . -88.87 107.5 19.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.117 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.436 ' HB3' ' CB ' ' A' ' 89' ' ' ARG . 1.1 t -44.42 -30.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.71 -43.5 75.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.559 ' HA3' ' CZ ' ' A' ' 85' ' ' PHE . . . -155.22 82.48 0.16 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -81.7 -112.55 0.39 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.474 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.43 -55.61 1.73 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.519 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 129.93 13.34 2.23 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.503 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mttt -124.1 105.17 9.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.3 -34.27 5.39 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.523 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.463 ' C ' ' SD ' ' A' ' 61' ' ' MET . 1.5 ppp? -58.88 -173.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.755 0.312 . . . . 0.0 110.853 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -141.72 159.42 42.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.487 HD13 ' CD2' ' A' ' 95' ' ' PHE . 76.2 mt -124.37 155.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.475 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -130.21 153.67 48.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TRP . . . . . 0.539 ' CD2' ' HB3' ' A' ' 47' ' ' PRO . 45.8 m95 -121.02 -7.92 9.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 m-20 -147.18 175.5 10.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -59.43 -48.95 79.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -57.96 -43.9 86.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -62.9 -43.28 99.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.462 HG21 ' HA ' ' A' ' 38' ' ' VAL . 44.8 m -49.52 -52.54 28.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.2 mtt-85 -60.19 -61.73 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -46.51 -37.35 7.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -82.21 -26.06 49.47 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.511 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.552 ' CD2' HD12 ' A' ' 90' ' ' LEU . 2.7 t80 -74.69 -35.42 62.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 48.1 mtp180 -69.29 -42.26 75.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.4 mt -72.47 -54.22 9.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.506 ' C ' HD21 ' A' ' 90' ' ' LEU . 48.6 m -55.3 -33.29 63.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 66.5 p -70.27 -52.17 24.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -55.88 -35.18 66.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 84' ' ' SER . 66.0 mm-40 -64.74 -41.04 96.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.625 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . . . -73.31 -29.43 62.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.069 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.32 -34.62 72.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.1 t -96.17 -27.78 14.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 80' ' ' GLU . 13.8 m -66.06 -68.75 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.559 ' CZ ' ' HA3' ' A' ' 55' ' ' GLY . 67.7 m-85 -98.92 -40.68 7.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.23 -35.11 1.69 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -95.4 155.01 16.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.821 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.27 32.1 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.494 ' CZ ' HG11 ' A' ' 30' ' ' VAL . 9.9 mmm180 -71.24 130.61 41.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.614 ' O ' HG23 ' A' ' 30' ' ' VAL . 22.9 mt -118.62 179.24 4.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.475 ' N ' ' O ' ' A' ' 51' ' ' LYS . 25.7 mt -146.41 161.68 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.546 HG22 HD12 ' A' ' 44' ' ' ILE . 53.5 mt -143.91 123.64 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -133.31 154.87 50.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HD3' HG22 ' A' ' 44' ' ' ILE . 16.7 tptm -68.56 128.02 35.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.487 ' CD2' HD13 ' A' ' 63' ' ' ILE . 10.9 t80 -102.33 111.8 24.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -125.35 117.99 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -96.29 -48.44 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 -101.23 156.15 35.5 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.604 0.716 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 169.89 17.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.665 2.244 . . . . 0.0 112.38 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.482 ' O ' ' CD2' ' A' ' 101' ' ' HIS . 4.1 mpt_? -97.53 -56.59 2.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.482 ' CD2' ' O ' ' A' ' 100' ' ' ARG . 16.2 p80 40.57 43.15 1.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.834 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 15.2 tt -139.66 154.39 24.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.155 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.2 m -169.11 -177.35 2.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.829 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.401 ' N ' ' HD2' ' A' ' 105' ' ' PRO . . . -67.7 -63.96 3.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.499 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 104' ' ' GLY . 53.5 Cg_endo -69.77 -43.74 2.48 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.697 2.265 . . . . 0.0 112.366 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 39.8 t -77.78 96.74 4.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 75.1 m -58.63 167.64 1.42 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.992 . . . . . . . . 0 0 . 1 stop_ save_